3,6-dimethyl-N-[(1S)-1-(4-morpholin-4-ylphenyl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C21H24N4O3 — CID 92626635

IUPAC3,6-dimethyl-N-[(1S)-1-(4-morpholin-4-ylphenyl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c2c(C)noc2n1
InChIInChI=1S/C21H24N4O3/c1-13-12-18(19-15(3)24-28-21(19)22-13)20(26)23-14(2)16-4-6-17(7-5-16)25-8-10-27-11-9-25/h4-7,12,14H,8-11H2,1-3H3,(H,23,26)/t14-/m0/s1
InChIKeyNTHUZJCEUAZSAR-AWEZNQCLSA-N
MW380.45 g/mol
LogP3.17
Rot. Bonds4

About 3,6-dimethyl-N-[(1S)-1-(4-morpholin-4-ylphenyl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

3,6-dimethyl-N-[(1S)-1-(4-morpholin-4-ylphenyl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 92626635) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 3,6-dimethyl-N-[(1S)-1-(4-morpholin-4-ylphenyl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name3,6-dimethyl-N-[(1S)-1-(4-morpholin-4-ylphenyl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID92626635
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name3,6-dimethyl-N-[(1S)-1-(4-morpholin-4-ylphenyl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c2c(C)noc2n1
InChIInChI=1S/C21H24N4O3/c1-13-12-18(19-15(3)24-28-21(19)22-13)20(26)23-14(2)16-4-6-17(7-5-16)25-8-10-27-11-9-25/h4-7,12,14H,8-11H2,1-3H3,(H,23,26)/t14-/m0/s1
InChIKeyNTHUZJCEUAZSAR-AWEZNQCLSA-N
XLogP3.17
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-ethoxyphenyl)ethyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 42930094
3,6-dimethyl-N-[(1R)-3-morpholin-4-yl-1-phenylpropyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 92626658
3,6-dimethyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51118084
N-[1-(1-ethylpyrazol-3-yl)ethyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44821707
6-cyclopropyl-3-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 171315013
6-cyclopropyl-N-[(1S)-1-(4-methoxyphenyl)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51853181
3,4-dichloro-N-[1-(4-morpholin-4-ylphenyl)ethyl]benzamide
CID 48663587
4-methyl-3-morpholin-4-yl-N-[1-(4-morpholin-4-ylphenyl)ethyl]benzamide
CID 46977369
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-morpholin-4-ylbenzamide
CID 92674988
N-tert-butyl-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51302068
N-[1-(4-morpholin-4-ylphenyl)ethyl]imidazo[1,2-a]pyrazine-2-carboxamide
CID 139507657
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78851356

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-N-[(1S)-1-(4-morpholin-4-ylphenyl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 3,6-dimethyl-N-[(1S)-1-(4-morpholin-4-ylphenyl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 92626635) is 3,6-dimethyl-N-[(1S)-1-(4-morpholin-4-ylphenyl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 3,6-dimethyl-N-[(1S)-1-(4-morpholin-4-ylphenyl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 3,6-dimethyl-N-[(1S)-1-(4-morpholin-4-ylphenyl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c2c(C)noc2n1.
What is the InChIKey of 3,6-dimethyl-N-[(1S)-1-(4-morpholin-4-ylphenyl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is NTHUZJCEUAZSAR-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-13-12-18(19-15(3)24-28-21(19)22-13)20(26)23-14(2)16-4-6-17(7-5-16)25-8-10-27-11-9-25/h4-7,12,14H,8-11H2,1-3H3,(H,23,26)/t14-/m0/s1.
What are the key properties of 3,6-dimethyl-N-[(1S)-1-(4-morpholin-4-ylphenyl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
3,6-dimethyl-N-[(1S)-1-(4-morpholin-4-ylphenyl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-N-[(1S)-1-(4-morpholin-4-ylphenyl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 92626635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).