6-cyclopropyl-N-[[1-[hydroxy(phenyl)methyl]cyclopropyl]methyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C24H27N3O3 — CID 138992326

IUPAC6-cyclopropyl-N-[[1-[hydroxy(phenyl)methyl]cyclopropyl]methyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(C)c1noc2nc(C3CC3)cc(C(=O)NCC3(C(O)c4ccccc4)CC3)c12
InChIInChI=1S/C24H27N3O3/c1-14(2)20-19-17(12-18(15-8-9-15)26-23(19)30-27-20)22(29)25-13-24(10-11-24)21(28)16-6-4-3-5-7-16/h3-7,12,14-15,21,28H,8-11,13H2,1-2H3,(H,25,29)
InChIKeyBAZRDNKXUFWOCH-UHFFFAOYSA-N
MW405.50 g/mol
LogP4.47
Rot. Bonds7

About 6-cyclopropyl-N-[[1-[hydroxy(phenyl)methyl]cyclopropyl]methyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

6-cyclopropyl-N-[[1-[hydroxy(phenyl)methyl]cyclopropyl]methyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 138992326) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is 6-cyclopropyl-N-[[1-[hydroxy(phenyl)methyl]cyclopropyl]methyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[[1-[hydroxy(phenyl)methyl]cyclopropyl]methyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID138992326
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name6-cyclopropyl-N-[[1-[hydroxy(phenyl)methyl]cyclopropyl]methyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(C)c1noc2nc(C3CC3)cc(C(=O)NCC3(C(O)c4ccccc4)CC3)c12
InChIInChI=1S/C24H27N3O3/c1-14(2)20-19-17(12-18(15-8-9-15)26-23(19)30-27-20)22(29)25-13-24(10-11-24)21(28)16-6-4-3-5-7-16/h3-7,12,14-15,21,28H,8-11,13H2,1-2H3,(H,25,29)
InChIKeyBAZRDNKXUFWOCH-UHFFFAOYSA-N
XLogP4.47
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[[1-[hydroxy(phenyl)methyl]cyclopropyl]methyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[[1-[hydroxy(phenyl)methyl]cyclopropyl]methyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 138992326) is 6-cyclopropyl-N-[[1-[hydroxy(phenyl)methyl]cyclopropyl]methyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[[1-[hydroxy(phenyl)methyl]cyclopropyl]methyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[[1-[hydroxy(phenyl)methyl]cyclopropyl]methyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is CC(C)c1noc2nc(C3CC3)cc(C(=O)NCC3(C(O)c4ccccc4)CC3)c12.
What is the InChIKey of 6-cyclopropyl-N-[[1-[hydroxy(phenyl)methyl]cyclopropyl]methyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is BAZRDNKXUFWOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-14(2)20-19-17(12-18(15-8-9-15)26-23(19)30-27-20)22(29)25-13-24(10-11-24)21(28)16-6-4-3-5-7-16/h3-7,12,14-15,21,28H,8-11,13H2,1-2H3,(H,25,29).
What are the key properties of 6-cyclopropyl-N-[[1-[hydroxy(phenyl)methyl]cyclopropyl]methyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
6-cyclopropyl-N-[[1-[hydroxy(phenyl)methyl]cyclopropyl]methyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 4.47, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[[1-[hydroxy(phenyl)methyl]cyclopropyl]methyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 138992326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).