3-(5-methyl-1,3-benzoxazol-2-yl)-N-phenylpyrrolidin-1-amine

C18H19N3O — CID 91352161

IUPAC3-(5-methyl-1,3-benzoxazol-2-yl)-N-phenylpyrrolidin-1-amine
SMILESCc1ccc2oc(C3CCN(Nc4ccccc4)C3)nc2c1
InChIInChI=1S/C18H19N3O/c1-13-7-8-17-16(11-13)19-18(22-17)14-9-10-21(12-14)20-15-5-3-2-4-6-15/h2-8,11,14,20H,9-10,12H2,1H3
InChIKeyQSPSYCGTFUWUEL-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.95
Rot. Bonds3

About 3-(5-methyl-1,3-benzoxazol-2-yl)-N-phenylpyrrolidin-1-amine

3-(5-methyl-1,3-benzoxazol-2-yl)-N-phenylpyrrolidin-1-amine (PubChem CID 91352161) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-(5-methyl-1,3-benzoxazol-2-yl)-N-phenylpyrrolidin-1-amine.

Molecular Properties

Compound Name3-(5-methyl-1,3-benzoxazol-2-yl)-N-phenylpyrrolidin-1-amine
PubChem CID91352161
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name3-(5-methyl-1,3-benzoxazol-2-yl)-N-phenylpyrrolidin-1-amine
SMILESCc1ccc2oc(C3CCN(Nc4ccccc4)C3)nc2c1
InChIInChI=1S/C18H19N3O/c1-13-7-8-17-16(11-13)19-18(22-17)14-9-10-21(12-14)20-15-5-3-2-4-6-15/h2-8,11,14,20H,9-10,12H2,1H3
InChIKeyQSPSYCGTFUWUEL-UHFFFAOYSA-N
XLogP3.95
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-2-[(3S)-1-(quinolin-3-ylmethyl)pyrrolidin-3-yl]-1,3-benzoxazole
CID 51137049
2-[1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]-5-methyl-1,3-benzoxazole
CID 75131872
2-[4-(5-methyl-1,3-benzoxazol-2-yl)piperidin-1-yl]ethanamine
CID 82167785
1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperidin-1-yl]butan-2-amine
CID 82167787
[3-(5-methyl-1,3-benzoxazol-2-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 75131646
2-[(2S,4S)-2-ethyl-1-propan-2-ylpiperidin-4-yl]-5-methyl-1,3-benzoxazole
CID 176809535
5-bromo-2-(1-phenylpiperidin-4-yl)-1,3-benzoxazole
CID 135155998
5-methyl-2-pyrrolidin-2-yl-1,3-benzoxazole
CID 60918724
4-(1,3-benzoxazol-2-yl)-N-phenylpiperidine-1-carbothioamide
CID 1430254
propan-2-yl 4-[5-(4-methylphenyl)-1,3-benzoxazol-2-yl]piperidine-1-carboxylate
CID 71263395
2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-5-methyl-1,3-benzoxazole
CID 127323044
1-(2-cyclopropyl-1,3-benzoxazol-5-yl)propan-1-one
CID 82284648

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1,3-benzoxazol-2-yl)-N-phenylpyrrolidin-1-amine?
The IUPAC name of 3-(5-methyl-1,3-benzoxazol-2-yl)-N-phenylpyrrolidin-1-amine (CID 91352161) is 3-(5-methyl-1,3-benzoxazol-2-yl)-N-phenylpyrrolidin-1-amine.
What is the SMILES notation for 3-(5-methyl-1,3-benzoxazol-2-yl)-N-phenylpyrrolidin-1-amine?
The canonical SMILES for 3-(5-methyl-1,3-benzoxazol-2-yl)-N-phenylpyrrolidin-1-amine is Cc1ccc2oc(C3CCN(Nc4ccccc4)C3)nc2c1.
What is the InChIKey of 3-(5-methyl-1,3-benzoxazol-2-yl)-N-phenylpyrrolidin-1-amine?
The InChIKey is QSPSYCGTFUWUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-13-7-8-17-16(11-13)19-18(22-17)14-9-10-21(12-14)20-15-5-3-2-4-6-15/h2-8,11,14,20H,9-10,12H2,1H3.
What are the key properties of 3-(5-methyl-1,3-benzoxazol-2-yl)-N-phenylpyrrolidin-1-amine?
3-(5-methyl-1,3-benzoxazol-2-yl)-N-phenylpyrrolidin-1-amine has a molecular weight of 293.37 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-1,3-benzoxazol-2-yl)-N-phenylpyrrolidin-1-amine is sourced from PubChem (CID 91352161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).