N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1-prop-2-enoylpyrrolidine-2-carboxamide

C18H19N3O3 — CID 166410997

IUPACN-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1-prop-2-enoylpyrrolidine-2-carboxamide
SMILESC=CC(=O)N1CCCC1C(=O)Nc1ccc2oc(C3CC3)nc2c1
InChIInChI=1S/C18H19N3O3/c1-2-16(22)21-9-3-4-14(21)17(23)19-12-7-8-15-13(10-12)20-18(24-15)11-5-6-11/h2,7-8,10-11,14H,1,3-6,9H2,(H,19,23)
InChIKeyFCXINQHAZUNBQE-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.82
Rot. Bonds4

About N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1-prop-2-enoylpyrrolidine-2-carboxamide

N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1-prop-2-enoylpyrrolidine-2-carboxamide (PubChem CID 166410997) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1-prop-2-enoylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1-prop-2-enoylpyrrolidine-2-carboxamide
PubChem CID166410997
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC NameN-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1-prop-2-enoylpyrrolidine-2-carboxamide
SMILESC=CC(=O)N1CCCC1C(=O)Nc1ccc2oc(C3CC3)nc2c1
InChIInChI=1S/C18H19N3O3/c1-2-16(22)21-9-3-4-14(21)17(23)19-12-7-8-15-13(10-12)20-18(24-15)11-5-6-11/h2,7-8,10-11,14H,1,3-6,9H2,(H,19,23)
InChIKeyFCXINQHAZUNBQE-UHFFFAOYSA-N
XLogP2.82
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(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-enylamino)acetamide
CID 79285004
N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-1-prop-2-enoylpyrrolidine-2-carboxamide
CID 166411006
(3R)-1-acetyl-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)piperidine-3-carboxamide
CID 94146559
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)piperidine-4-carboxamide;hydrochloride
CID 119290775
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(cyclopropylmethylamino)acetamide
CID 60865852
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 119726041
(2S)-N-(3-methyl-1,2-benzoxazol-5-yl)-1-prop-2-enoylazetidine-2-carboxamide
CID 172889376
1-cyclooctyl-3-(2-cyclopropyl-1,3-benzoxazol-5-yl)urea
CID 71895854
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-nitrocyclopropane-1-carboxamide
CID 51117633
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 46416202
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)-1-prop-2-enoylpyrrolidine-2-carboxamide?
The IUPAC name of N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1-prop-2-enoylpyrrolidine-2-carboxamide (CID 166410997) is N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1-prop-2-enoylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1-prop-2-enoylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1-prop-2-enoylpyrrolidine-2-carboxamide is C=CC(=O)N1CCCC1C(=O)Nc1ccc2oc(C3CC3)nc2c1.
What is the InChIKey of N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1-prop-2-enoylpyrrolidine-2-carboxamide?
The InChIKey is FCXINQHAZUNBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-2-16(22)21-9-3-4-14(21)17(23)19-12-7-8-15-13(10-12)20-18(24-15)11-5-6-11/h2,7-8,10-11,14H,1,3-6,9H2,(H,19,23).
What are the key properties of N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1-prop-2-enoylpyrrolidine-2-carboxamide?
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1-prop-2-enoylpyrrolidine-2-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 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)-1-prop-2-enoylpyrrolidine-2-carboxamide is sourced from PubChem (CID 166410997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).