(4S)-4-[[6-[5-[2-methyl-6-(propan-2-ylamino)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]-3-pyridinyl]oxymethyl]-1,3-oxazolidin-2-one

C20H22N6O4 — CID 127036403

IUPAC(4S)-4-[[6-[5-[2-methyl-6-(propan-2-ylamino)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]-3-pyridinyl]oxymethyl]-1,3-oxazolidin-2-one
SMILESCc1cc(-c2nc(-c3ccc(OC[C@H]4COC(=O)N4)cn3)no2)cc(NC(C)C)n1
InChIInChI=1S/C20H22N6O4/c1-11(2)22-17-7-13(6-12(3)23-17)19-25-18(26-30-19)16-5-4-15(8-21-16)28-9-14-10-29-20(27)24-14/h4-8,11,14H,9-10H2,1-3H3,(H,22,23)(H,24,27)/t14-/m0/s1
InChIKeyQNRXKEOKIAKUGO-AWEZNQCLSA-N
MW410.43 g/mol
LogP2.81
Rot. Bonds7

About (4S)-4-[[6-[5-[2-methyl-6-(propan-2-ylamino)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]-3-pyridinyl]oxymethyl]-1,3-oxazolidin-2-one

(4S)-4-[[6-[5-[2-methyl-6-(propan-2-ylamino)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]-3-pyridinyl]oxymethyl]-1,3-oxazolidin-2-one (PubChem CID 127036403) has the molecular formula C20H22N6O4 and a molecular weight of 410.43 g/mol. Its IUPAC name is (4S)-4-[[6-[5-[2-methyl-6-(propan-2-ylamino)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]-3-pyridinyl]oxymethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[[6-[5-[2-methyl-6-(propan-2-ylamino)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]-3-pyridinyl]oxymethyl]-1,3-oxazolidin-2-one
PubChem CID127036403
Molecular FormulaC20H22N6O4
Molecular Weight410.43 g/mol
Exact Mass410.17
IUPAC Name(4S)-4-[[6-[5-[2-methyl-6-(propan-2-ylamino)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]-3-pyridinyl]oxymethyl]-1,3-oxazolidin-2-one
SMILESCc1cc(-c2nc(-c3ccc(OC[C@H]4COC(=O)N4)cn3)no2)cc(NC(C)C)n1
InChIInChI=1S/C20H22N6O4/c1-11(2)22-17-7-13(6-12(3)23-17)19-25-18(26-30-19)16-5-4-15(8-21-16)28-9-14-10-29-20(27)24-14/h4-8,11,14H,9-10H2,1-3H3,(H,22,23)(H,24,27)/t14-/m0/s1
InChIKeyQNRXKEOKIAKUGO-AWEZNQCLSA-N
XLogP2.81
TPSA124.29 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze (4S)-4-[[6-[5-[2-methyl-6-(propan-2-ylamino)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]-3-pyridinyl]oxymethyl]-1,3-oxazolidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

(4S)-4-[[2-fluoro-4-[5-[2-methyl-6-(propan-2-ylamino)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]phenoxy]methyl]-1,3-oxazolidin-2-one
CID 127036262
(5S)-5-[[2-methyl-6-[5-[2-methyl-6-(propan-2-ylamino)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]-3-pyridinyl]oxy]piperidin-2-one
CID 124171442
(5S)-5-[[2,4-dimethyl-6-[5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]-3-pyridinyl]oxymethyl]pyrrolidin-2-one
CID 124171444
N,N-dimethyl-2-[5-[(3-methyl-2-pyridinyl)amino]-1,2,4-thiadiazol-3-yl]-5-propan-2-yloxypyridine-4-carboxamide
CID 155230435
N-methyl-2-[[3-(5-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-yl]amino]pyridine-3-carboxamide
CID 155230455
N-(3-methyl-2-pyridinyl)-3-[5-(oxan-4-yloxy)-2-pyridinyl]-1,2,4-oxadiazol-5-amine
CID 155230850
(4S)-4-[[4-[5-[2-methyl-6-(propan-2-ylamino)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]phenoxy]methyl]-1,3-oxazolidin-2-one
CID 127036263
(4S)-4-[[2-methyl-6-[5-[2-methyl-6-(propan-2-ylamino)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]-3-pyridinyl]oxymethyl]-1,3-oxazolidin-2-one
CID 127036404
(4S)-4-[[2-methyl-6-[5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]-3-pyridinyl]oxymethyl]-1,3-oxazolidin-2-one
CID 127036405
(4S)-4-[[4-methyl-6-[5-[2-methyl-6-(propan-2-ylamino)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]-3-pyridinyl]oxymethyl]-1,3-oxazolidin-2-one
CID 127036406
(4S)-4-[[4-methyl-6-[5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]-3-pyridinyl]oxymethyl]-1,3-oxazolidin-2-one
CID 127036425
(4S)-4-[[5-[5-[2-methyl-6-(propan-2-ylamino)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]oxymethyl]-1,3-oxazolidin-2-one
CID 127036426

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[[6-[5-[2-methyl-6-(propan-2-ylamino)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]-3-pyridinyl]oxymethyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-[[6-[5-[2-methyl-6-(propan-2-ylamino)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]-3-pyridinyl]oxymethyl]-1,3-oxazolidin-2-one (CID 127036403) is (4S)-4-[[6-[5-[2-methyl-6-(propan-2-ylamino)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]-3-pyridinyl]oxymethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-[[6-[5-[2-methyl-6-(propan-2-ylamino)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]-3-pyridinyl]oxymethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-[[6-[5-[2-methyl-6-(propan-2-ylamino)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]-3-pyridinyl]oxymethyl]-1,3-oxazolidin-2-one is Cc1cc(-c2nc(-c3ccc(OC[C@H]4COC(=O)N4)cn3)no2)cc(NC(C)C)n1.
What is the InChIKey of (4S)-4-[[6-[5-[2-methyl-6-(propan-2-ylamino)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]-3-pyridinyl]oxymethyl]-1,3-oxazolidin-2-one?
The InChIKey is QNRXKEOKIAKUGO-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H22N6O4/c1-11(2)22-17-7-13(6-12(3)23-17)19-25-18(26-30-19)16-5-4-15(8-21-16)28-9-14-10-29-20(27)24-14/h4-8,11,14H,9-10H2,1-3H3,(H,22,23)(H,24,27)/t14-/m0/s1.
What are the key properties of (4S)-4-[[6-[5-[2-methyl-6-(propan-2-ylamino)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]-3-pyridinyl]oxymethyl]-1,3-oxazolidin-2-one?
(4S)-4-[[6-[5-[2-methyl-6-(propan-2-ylamino)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]-3-pyridinyl]oxymethyl]-1,3-oxazolidin-2-one has a molecular weight of 410.43 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[[6-[5-[2-methyl-6-(propan-2-ylamino)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]-3-pyridinyl]oxymethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 127036403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).