3,6-dimethyl-N-[(1R)-3-morpholin-4-yl-1-phenylpropyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C22H26N4O3 — CID 92626658

IUPAC3,6-dimethyl-N-[(1R)-3-morpholin-4-yl-1-phenylpropyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)N[C@H](CCN2CCOCC2)c2ccccc2)c2c(C)noc2n1
InChIInChI=1S/C22H26N4O3/c1-15-14-18(20-16(2)25-29-22(20)23-15)21(27)24-19(17-6-4-3-5-7-17)8-9-26-10-12-28-13-11-26/h3-7,14,19H,8-13H2,1-2H3,(H,24,27)/t19-/m1/s1
InChIKeyKCTNYOSPDPNWJQ-LJQANCHMSA-N
MW394.48 g/mol
LogP3.03
Rot. Bonds6

About 3,6-dimethyl-N-[(1R)-3-morpholin-4-yl-1-phenylpropyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

3,6-dimethyl-N-[(1R)-3-morpholin-4-yl-1-phenylpropyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 92626658) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 3,6-dimethyl-N-[(1R)-3-morpholin-4-yl-1-phenylpropyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name3,6-dimethyl-N-[(1R)-3-morpholin-4-yl-1-phenylpropyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID92626658
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name3,6-dimethyl-N-[(1R)-3-morpholin-4-yl-1-phenylpropyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)N[C@H](CCN2CCOCC2)c2ccccc2)c2c(C)noc2n1
InChIInChI=1S/C22H26N4O3/c1-15-14-18(20-16(2)25-29-22(20)23-15)21(27)24-19(17-6-4-3-5-7-17)8-9-26-10-12-28-13-11-26/h3-7,14,19H,8-13H2,1-2H3,(H,24,27)/t19-/m1/s1
InChIKeyKCTNYOSPDPNWJQ-LJQANCHMSA-N
XLogP3.03
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3,6-dimethyl-N-[(1R)-3-morpholin-4-yl-1-phenylpropyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide with MolForge

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Related Compounds

3,6-dimethyl-N-[(1R)-3,3,3-trifluoro-1-phenylpropyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 94631328
3,6-dimethyl-N-[(1S)-1-(4-morpholin-4-ylphenyl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 92626635
methyl (2R)-2-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-3-phenylpropanoate
CID 95394881
3-(3,4-dimethoxyphenyl)-3-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]propanoic acid
CID 119135699
(2R)-2-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methylpentanoic acid
CID 119363650
(2R)-2-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-4-hydroxybutanoic acid
CID 107822981
[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl] 3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 30765096
methyl 3-[[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]-3-phenylpropanoate
CID 18133291
N-[(2S)-4-(furan-2-yl)butan-2-yl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51853074
N-[(2R)-1-hydroxybutan-2-yl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 103919940
3-(1,3-benzodioxol-5-yl)-6-methyl-N-(2-morpholin-4-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 19616140
N-[2-(4-ethylpiperazin-1-yl)phenyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51111979

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-N-[(1R)-3-morpholin-4-yl-1-phenylpropyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 3,6-dimethyl-N-[(1R)-3-morpholin-4-yl-1-phenylpropyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 92626658) is 3,6-dimethyl-N-[(1R)-3-morpholin-4-yl-1-phenylpropyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 3,6-dimethyl-N-[(1R)-3-morpholin-4-yl-1-phenylpropyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 3,6-dimethyl-N-[(1R)-3-morpholin-4-yl-1-phenylpropyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)N[C@H](CCN2CCOCC2)c2ccccc2)c2c(C)noc2n1.
What is the InChIKey of 3,6-dimethyl-N-[(1R)-3-morpholin-4-yl-1-phenylpropyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is KCTNYOSPDPNWJQ-LJQANCHMSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-15-14-18(20-16(2)25-29-22(20)23-15)21(27)24-19(17-6-4-3-5-7-17)8-9-26-10-12-28-13-11-26/h3-7,14,19H,8-13H2,1-2H3,(H,24,27)/t19-/m1/s1.
What are the key properties of 3,6-dimethyl-N-[(1R)-3-morpholin-4-yl-1-phenylpropyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
3,6-dimethyl-N-[(1R)-3-morpholin-4-yl-1-phenylpropyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 394.48 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-N-[(1R)-3-morpholin-4-yl-1-phenylpropyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 92626658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).