(5S)-3-methyl-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

C14H20N4O2 — CID 95554744

IUPAC(5S)-3-methyl-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCC1=NO[C@H](C(=O)NCC2(Cn3ccnc3C)CC2)C1
InChIInChI=1S/C14H20N4O2/c1-10-7-12(20-17-10)13(19)16-8-14(3-4-14)9-18-6-5-15-11(18)2/h5-6,12H,3-4,7-9H2,1-2H3,(H,16,19)/t12-/m0/s1
InChIKeyRKONEUOWIFGVMN-LBPRGKRZSA-N
MW276.34 g/mol
LogP1.25
Rot. Bonds5

About (5S)-3-methyl-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

(5S)-3-methyl-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 95554744) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is (5S)-3-methyl-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name(5S)-3-methyl-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID95554744
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name(5S)-3-methyl-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCC1=NO[C@H](C(=O)NCC2(Cn3ccnc3C)CC2)C1
InChIInChI=1S/C14H20N4O2/c1-10-7-12(20-17-10)13(19)16-8-14(3-4-14)9-18-6-5-15-11(18)2/h5-6,12H,3-4,7-9H2,1-2H3,(H,16,19)/t12-/m0/s1
InChIKeyRKONEUOWIFGVMN-LBPRGKRZSA-N
XLogP1.25
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5S)-3-methyl-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of (5S)-3-methyl-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 95554744) is (5S)-3-methyl-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for (5S)-3-methyl-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for (5S)-3-methyl-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is CC1=NO[C@H](C(=O)NCC2(Cn3ccnc3C)CC2)C1.
What is the InChIKey of (5S)-3-methyl-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is RKONEUOWIFGVMN-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-10-7-12(20-17-10)13(19)16-8-14(3-4-14)9-18-6-5-15-11(18)2/h5-6,12H,3-4,7-9H2,1-2H3,(H,16,19)/t12-/m0/s1.
What are the key properties of (5S)-3-methyl-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
(5S)-3-methyl-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-methyl-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 95554744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).