2-(3-benzhydryl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-N-methyl-N-propan-2-ylacetamide

C25H29N3O2 — CID 56753169

IUPAC2-(3-benzhydryl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)CN1CCc2onc(C(c3ccccc3)c3ccccc3)c2C1
InChIInChI=1S/C25H29N3O2/c1-18(2)27(3)23(29)17-28-15-14-22-21(16-28)25(26-30-22)24(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-13,18,24H,14-17H2,1-3H3
InChIKeyLEKUGZYBLCGAMH-UHFFFAOYSA-N
MW403.53 g/mol
LogP4.08
Rot. Bonds6

About 2-(3-benzhydryl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-N-methyl-N-propan-2-ylacetamide

2-(3-benzhydryl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-N-methyl-N-propan-2-ylacetamide (PubChem CID 56753169) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is 2-(3-benzhydryl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-N-methyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(3-benzhydryl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-N-methyl-N-propan-2-ylacetamide
PubChem CID56753169
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC Name2-(3-benzhydryl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)CN1CCc2onc(C(c3ccccc3)c3ccccc3)c2C1
InChIInChI=1S/C25H29N3O2/c1-18(2)27(3)23(29)17-28-15-14-22-21(16-28)25(26-30-22)24(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-13,18,24H,14-17H2,1-3H3
InChIKeyLEKUGZYBLCGAMH-UHFFFAOYSA-N
XLogP4.08
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(3-benzhydryl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)acetate
CID 56741039
3-(3-benzhydryl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-N-propan-2-ylpropanamide
CID 56751972
1-(3-benzhydryl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)ethanone
CID 56747001
(2S)-2-(3-benzhydryl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)propanamide
CID 95221794
2-amino-1-(3-benzhydryl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)ethanone
CID 56751609
1-(3-benzhydryl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-2-pyrazol-1-ylethanone
CID 29209508
3-benzhydryl-5-[(1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
CID 45239748
N-methyl-2-[5-(phenylcarbamoylamino)-3,4-dihydro-1H-isoquinolin-2-yl]-N-propan-2-ylacetamide
CID 75463073
4-(3-benzhydryl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)pyrimidin-2-amine
CID 56754033
N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylacetamide
CID 8786544
(2R)-N,N-dimethyl-2-[3-(4-phenylphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propanamide
CID 95201830
2-[3-(4-chlorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]acetic acid
CID 56751638

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzhydryl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-N-methyl-N-propan-2-ylacetamide?
The IUPAC name of 2-(3-benzhydryl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-N-methyl-N-propan-2-ylacetamide (CID 56753169) is 2-(3-benzhydryl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-N-methyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(3-benzhydryl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-N-methyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-(3-benzhydryl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-N-methyl-N-propan-2-ylacetamide is CC(C)N(C)C(=O)CN1CCc2onc(C(c3ccccc3)c3ccccc3)c2C1.
What is the InChIKey of 2-(3-benzhydryl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-N-methyl-N-propan-2-ylacetamide?
The InChIKey is LEKUGZYBLCGAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2/c1-18(2)27(3)23(29)17-28-15-14-22-21(16-28)25(26-30-22)24(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-13,18,24H,14-17H2,1-3H3.
What are the key properties of 2-(3-benzhydryl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-N-methyl-N-propan-2-ylacetamide?
2-(3-benzhydryl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-N-methyl-N-propan-2-ylacetamide has a molecular weight of 403.53 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzhydryl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-N-methyl-N-propan-2-ylacetamide is sourced from PubChem (CID 56753169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).