2-amino-N-(1-benzhydrylazetidin-3-yl)-1,3-oxazole-5-carboxamide

C20H20N4O2 — CID 166386840

IUPAC2-amino-N-(1-benzhydrylazetidin-3-yl)-1,3-oxazole-5-carboxamide
SMILESNc1ncc(C(=O)NC2CN(C(c3ccccc3)c3ccccc3)C2)o1
InChIInChI=1S/C20H20N4O2/c21-20-22-11-17(26-20)19(25)23-16-12-24(13-16)18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-11,16,18H,12-13H2,(H2,21,22)(H,23,25)
InChIKeyRCBANHXWZXMJRL-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.46
Rot. Bonds5

About 2-amino-N-(1-benzhydrylazetidin-3-yl)-1,3-oxazole-5-carboxamide

2-amino-N-(1-benzhydrylazetidin-3-yl)-1,3-oxazole-5-carboxamide (PubChem CID 166386840) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 2-amino-N-(1-benzhydrylazetidin-3-yl)-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-(1-benzhydrylazetidin-3-yl)-1,3-oxazole-5-carboxamide
PubChem CID166386840
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name2-amino-N-(1-benzhydrylazetidin-3-yl)-1,3-oxazole-5-carboxamide
SMILESNc1ncc(C(=O)NC2CN(C(c3ccccc3)c3ccccc3)C2)o1
InChIInChI=1S/C20H20N4O2/c21-20-22-11-17(26-20)19(25)23-16-12-24(13-16)18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-11,16,18H,12-13H2,(H2,21,22)(H,23,25)
InChIKeyRCBANHXWZXMJRL-UHFFFAOYSA-N
XLogP2.46
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-benzhydrylazetidin-3-yl)-2-bromobenzamide
CID 71666506
tert-butyl N-(1-benzhydrylazetidin-3-yl)carbamate;hydrochloride
CID 170994169
(2S)-N-(1-benzhydrylazetidin-3-yl)-1-(1,3-benzoxazol-2-yl)piperidine-2-carboxamide
CID 57139910
5-nitro-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]furan-2-carboxamide
CID 98790580
N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]pyridine-2-carboxamide
CID 94536296
(3S,4S,5S,6S)-1-benzhydrylazepane-3,4,5,6-tetrol
CID 10568359
N-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]pyridine-3-carboxamide
CID 94536313
3-(benzenesulfonyl)-N-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]propanamide
CID 142693594
carbamoyl 1-benzhydrylazetidine-3-carboxylate
CID 91408573
1-benzhydryl-N-(2-pyridin-2-ylethyl)azetidine-3-carboxamide
CID 71702513
N-[(1-benzhydrylazetidin-3-yl)methyl]-2-methylbenzamide
CID 71660278
1-(1-benzhydrylazetidin-3-yl)pyrazole-4-carboxylic acid
CID 129052797

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-benzhydrylazetidin-3-yl)-1,3-oxazole-5-carboxamide?
The IUPAC name of 2-amino-N-(1-benzhydrylazetidin-3-yl)-1,3-oxazole-5-carboxamide (CID 166386840) is 2-amino-N-(1-benzhydrylazetidin-3-yl)-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2-amino-N-(1-benzhydrylazetidin-3-yl)-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2-amino-N-(1-benzhydrylazetidin-3-yl)-1,3-oxazole-5-carboxamide is Nc1ncc(C(=O)NC2CN(C(c3ccccc3)c3ccccc3)C2)o1.
What is the InChIKey of 2-amino-N-(1-benzhydrylazetidin-3-yl)-1,3-oxazole-5-carboxamide?
The InChIKey is RCBANHXWZXMJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c21-20-22-11-17(26-20)19(25)23-16-12-24(13-16)18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-11,16,18H,12-13H2,(H2,21,22)(H,23,25).
What are the key properties of 2-amino-N-(1-benzhydrylazetidin-3-yl)-1,3-oxazole-5-carboxamide?
2-amino-N-(1-benzhydrylazetidin-3-yl)-1,3-oxazole-5-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-benzhydrylazetidin-3-yl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 166386840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).