N-(2-cyclopropyl-1,3-benzoxazol-5-yl)pyrrolidine-3-carboxamide;hydrochloride

C15H18ClN3O2 — CID 119726041

IUPACN-(2-cyclopropyl-1,3-benzoxazol-5-yl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc2oc(C3CC3)nc2c1)C1CCNC1
InChIInChI=1S/C15H17N3O2.ClH/c19-14(10-5-6-16-8-10)17-11-3-4-13-12(7-11)18-15(20-13)9-1-2-9;/h3-4,7,9-10,16H,1-2,5-6,8H2,(H,17,19);1H
InChIKeyJDZCIEDMEFUFOS-UHFFFAOYSA-N
MW307.78 g/mol
LogP2.67
Rot. Bonds3

About N-(2-cyclopropyl-1,3-benzoxazol-5-yl)pyrrolidine-3-carboxamide;hydrochloride

N-(2-cyclopropyl-1,3-benzoxazol-5-yl)pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119726041) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is N-(2-cyclopropyl-1,3-benzoxazol-5-yl)pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-cyclopropyl-1,3-benzoxazol-5-yl)pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119726041
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC NameN-(2-cyclopropyl-1,3-benzoxazol-5-yl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc2oc(C3CC3)nc2c1)C1CCNC1
InChIInChI=1S/C15H17N3O2.ClH/c19-14(10-5-6-16-8-10)17-11-3-4-13-12(7-11)18-15(20-13)9-1-2-9;/h3-4,7,9-10,16H,1-2,5-6,8H2,(H,17,19);1H
InChIKeyJDZCIEDMEFUFOS-UHFFFAOYSA-N
XLogP2.67
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyclopropyl-1,3-benzoxazol-5-yl)piperidine-4-carboxamide;hydrochloride
CID 119290775
(3R)-1-acetyl-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)piperidine-3-carboxamide
CID 94146559
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-nitrocyclopropane-1-carboxamide
CID 51117633
N-(2-oxochromen-6-yl)piperidine-3-carboxamide;hydrochloride
CID 119300608
N-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]pyrrolidine-3-carboxamide
CID 119730167
2-cyclopropyl-N-(piperidin-4-ylmethyl)-1,3-benzoxazol-5-amine
CID 79701065
2-(2-chlorophenyl)-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)cyclopropane-1-carboxamide
CID 55619996
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(cyclopropylmethylamino)acetamide
CID 60865852
1-cyclooctyl-3-(2-cyclopropyl-1,3-benzoxazol-5-yl)urea
CID 71895854
4-[(2-cyclopropyl-1,3-benzoxazol-5-yl)carbamoylamino]butanoic acid
CID 122075730
(4R)-3-acetyl-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1,3-thiazolidine-4-carboxamide
CID 94783798
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(prop-2-ynylamino)acetamide
CID 79287727

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-1,3-benzoxazol-5-yl)pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-cyclopropyl-1,3-benzoxazol-5-yl)pyrrolidine-3-carboxamide;hydrochloride (CID 119726041) is N-(2-cyclopropyl-1,3-benzoxazol-5-yl)pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-cyclopropyl-1,3-benzoxazol-5-yl)pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-cyclopropyl-1,3-benzoxazol-5-yl)pyrrolidine-3-carboxamide;hydrochloride is Cl.O=C(Nc1ccc2oc(C3CC3)nc2c1)C1CCNC1.
What is the InChIKey of N-(2-cyclopropyl-1,3-benzoxazol-5-yl)pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is JDZCIEDMEFUFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2.ClH/c19-14(10-5-6-16-8-10)17-11-3-4-13-12(7-11)18-15(20-13)9-1-2-9;/h3-4,7,9-10,16H,1-2,5-6,8H2,(H,17,19);1H.
What are the key properties of N-(2-cyclopropyl-1,3-benzoxazol-5-yl)pyrrolidine-3-carboxamide;hydrochloride?
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 307.78 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-1,3-benzoxazol-5-yl)pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119726041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).