[1-(4-aminocyclohexyl)triazol-4-yl]-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone

C21H24N6O2 — CID 170502169

IUPAC[1-(4-aminocyclohexyl)triazol-4-yl]-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
SMILESNC1CCC(n2cc(C(=O)N3CCc4oc(-c5ccccc5)nc4C3)nn2)CC1
InChIInChI=1S/C21H24N6O2/c22-15-6-8-16(9-7-15)27-13-18(24-25-27)21(28)26-11-10-19-17(12-26)23-20(29-19)14-4-2-1-3-5-14/h1-5,13,15-16H,6-12,22H2
InChIKeyQBLSWDNMFYPRNC-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.57
Rot. Bonds3

About [1-(4-aminocyclohexyl)triazol-4-yl]-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone

[1-(4-aminocyclohexyl)triazol-4-yl]-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone (PubChem CID 170502169) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is [1-(4-aminocyclohexyl)triazol-4-yl]-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name[1-(4-aminocyclohexyl)triazol-4-yl]-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
PubChem CID170502169
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name[1-(4-aminocyclohexyl)triazol-4-yl]-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
SMILESNC1CCC(n2cc(C(=O)N3CCc4oc(-c5ccccc5)nc4C3)nn2)CC1
InChIInChI=1S/C21H24N6O2/c22-15-6-8-16(9-7-15)27-13-18(24-25-27)21(28)26-11-10-19-17(12-26)23-20(29-19)14-4-2-1-3-5-14/h1-5,13,15-16H,6-12,22H2
InChIKeyQBLSWDNMFYPRNC-UHFFFAOYSA-N
XLogP2.57
TPSA103.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(5-cyclopropyl-1H-pyrazol-3-yl)-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
CID 170502326
(1-ethylpyrazol-3-yl)-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
CID 170504334
(5-fluoro-2-pyridinyl)-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
CID 170502779
[5-(difluoromethyl)-1H-pyrazol-3-yl]-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
CID 170502438
[(1S,3R,4R)-3-amino-4-hydroxycyclopentyl]-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
CID 170504699
(3-methyl-1,2-oxazol-5-yl)-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
CID 170504606
2-(cyclopropylamino)-1-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)ethanone
CID 170504582
(2,5-dimethylpyrazol-3-yl)-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
CID 169414023
oxolan-2-yl-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
CID 169413850
(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-(1,3-thiazol-5-yl)methanone
CID 169417462
[1-(4-aminocyclohexyl)triazol-4-yl]-[(3S)-3-phenylpiperazin-1-yl]methanone
CID 98260169
(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-(2-pyrrolidin-3-ylphenyl)methanone
CID 170511489

Frequently Asked Questions

What is the IUPAC name of [1-(4-aminocyclohexyl)triazol-4-yl]-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone?
The IUPAC name of [1-(4-aminocyclohexyl)triazol-4-yl]-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone (CID 170502169) is [1-(4-aminocyclohexyl)triazol-4-yl]-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone.
What is the SMILES notation for [1-(4-aminocyclohexyl)triazol-4-yl]-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone?
The canonical SMILES for [1-(4-aminocyclohexyl)triazol-4-yl]-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone is NC1CCC(n2cc(C(=O)N3CCc4oc(-c5ccccc5)nc4C3)nn2)CC1.
What is the InChIKey of [1-(4-aminocyclohexyl)triazol-4-yl]-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone?
The InChIKey is QBLSWDNMFYPRNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c22-15-6-8-16(9-7-15)27-13-18(24-25-27)21(28)26-11-10-19-17(12-26)23-20(29-19)14-4-2-1-3-5-14/h1-5,13,15-16H,6-12,22H2.
What are the key properties of [1-(4-aminocyclohexyl)triazol-4-yl]-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone?
[1-(4-aminocyclohexyl)triazol-4-yl]-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone has a molecular weight of 392.46 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-aminocyclohexyl)triazol-4-yl]-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone is sourced from PubChem (CID 170502169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).