4-[[5-(cyclobutanecarbonylamino)-1,3-benzoxazol-2-yl]amino]piperidine-1-carboxylic acid

C18H22N4O4 — CID 143288804

IUPAC4-[[5-(cyclobutanecarbonylamino)-1,3-benzoxazol-2-yl]amino]piperidine-1-carboxylic acid
SMILESO=C(Nc1ccc2oc(NC3CCN(C(=O)O)CC3)nc2c1)C1CCC1
InChIInChI=1S/C18H22N4O4/c23-16(11-2-1-3-11)19-13-4-5-15-14(10-13)21-17(26-15)20-12-6-8-22(9-7-12)18(24)25/h4-5,10-12H,1-3,6-9H2,(H,19,23)(H,20,21)(H,24,25)
InChIKeyVNHRRZRDXDQRKC-UHFFFAOYSA-N
MW358.40 g/mol
LogP3.12
Rot. Bonds4

About 4-[[5-(cyclobutanecarbonylamino)-1,3-benzoxazol-2-yl]amino]piperidine-1-carboxylic acid

4-[[5-(cyclobutanecarbonylamino)-1,3-benzoxazol-2-yl]amino]piperidine-1-carboxylic acid (PubChem CID 143288804) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is 4-[[5-(cyclobutanecarbonylamino)-1,3-benzoxazol-2-yl]amino]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[[5-(cyclobutanecarbonylamino)-1,3-benzoxazol-2-yl]amino]piperidine-1-carboxylic acid
PubChem CID143288804
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC Name4-[[5-(cyclobutanecarbonylamino)-1,3-benzoxazol-2-yl]amino]piperidine-1-carboxylic acid
SMILESO=C(Nc1ccc2oc(NC3CCN(C(=O)O)CC3)nc2c1)C1CCC1
InChIInChI=1S/C18H22N4O4/c23-16(11-2-1-3-11)19-13-4-5-15-14(10-13)21-17(26-15)20-12-6-8-22(9-7-12)18(24)25/h4-5,10-12H,1-3,6-9H2,(H,19,23)(H,20,21)(H,24,25)
InChIKeyVNHRRZRDXDQRKC-UHFFFAOYSA-N
XLogP3.12
TPSA107.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[[5-(cyclobutanecarbonylamino)-1,3-benzoxazol-2-yl]amino]piperidine-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(5-bromo-1,3-benzoxazol-2-yl)amino]pyrrolidine-1-carboxylic acid
CID 174193660
N-[4-[5-(cyclohexanecarbonylamino)-1,3-benzoxazol-2-yl]phenyl]cyclohexanecarboxamide
CID 1092407
5-(cyclobutanecarbonylamino)-1-benzofuran-2-carboxylic acid
CID 120690709
N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)cyclohexanecarboxamide
CID 5063740
4-(1,3-benzoxazol-2-ylamino)-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 23605340
(3R)-1-acetyl-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)piperidine-3-carboxamide
CID 94146559
4-[(2-tert-butyl-1,3-benzoxazol-5-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120672739
4-methoxy-N-(2-methyl-1,3-benzoxazol-5-yl)cyclohexane-1-carboxamide
CID 112525589
1-(2-methylpropanoyl)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)piperidine-3-carboxamide
CID 47055287
(3R)-1-(benzenesulfonyl)-N-(2-methyl-1,3-benzoxazol-5-yl)piperidine-3-carboxamide
CID 38747759
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)piperidine-4-carboxamide;hydrochloride
CID 119290775
N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)cyclohexanecarboxamide
CID 5063739

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(cyclobutanecarbonylamino)-1,3-benzoxazol-2-yl]amino]piperidine-1-carboxylic acid?
The IUPAC name of 4-[[5-(cyclobutanecarbonylamino)-1,3-benzoxazol-2-yl]amino]piperidine-1-carboxylic acid (CID 143288804) is 4-[[5-(cyclobutanecarbonylamino)-1,3-benzoxazol-2-yl]amino]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[[5-(cyclobutanecarbonylamino)-1,3-benzoxazol-2-yl]amino]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[[5-(cyclobutanecarbonylamino)-1,3-benzoxazol-2-yl]amino]piperidine-1-carboxylic acid is O=C(Nc1ccc2oc(NC3CCN(C(=O)O)CC3)nc2c1)C1CCC1.
What is the InChIKey of 4-[[5-(cyclobutanecarbonylamino)-1,3-benzoxazol-2-yl]amino]piperidine-1-carboxylic acid?
The InChIKey is VNHRRZRDXDQRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4/c23-16(11-2-1-3-11)19-13-4-5-15-14(10-13)21-17(26-15)20-12-6-8-22(9-7-12)18(24)25/h4-5,10-12H,1-3,6-9H2,(H,19,23)(H,20,21)(H,24,25).
What are the key properties of 4-[[5-(cyclobutanecarbonylamino)-1,3-benzoxazol-2-yl]amino]piperidine-1-carboxylic acid?
4-[[5-(cyclobutanecarbonylamino)-1,3-benzoxazol-2-yl]amino]piperidine-1-carboxylic acid has a molecular weight of 358.40 g/mol, XLogP of 3.12, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(cyclobutanecarbonylamino)-1,3-benzoxazol-2-yl]amino]piperidine-1-carboxylic acid is sourced from PubChem (CID 143288804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).