(2R)-1-(1,3-benzoxazol-2-yl)-N-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide

C19H18FN3O2 — CID 97427865

IUPAC(2R)-1-(1,3-benzoxazol-2-yl)-N-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1)[C@H]1CCCN1c1nc2ccccc2o1
InChIInChI=1S/C19H18FN3O2/c20-14-9-7-13(8-10-14)12-21-18(24)16-5-3-11-23(16)19-22-15-4-1-2-6-17(15)25-19/h1-2,4,6-10,16H,3,5,11-12H2,(H,21,24)/t16-/m1/s1
InChIKeyLWNMLDGDNVVNCS-MRXNPFEDSA-N
MW339.37 g/mol
LogP3.25
Rot. Bonds4

About (2R)-1-(1,3-benzoxazol-2-yl)-N-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide

(2R)-1-(1,3-benzoxazol-2-yl)-N-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide (PubChem CID 97427865) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is (2R)-1-(1,3-benzoxazol-2-yl)-N-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(1,3-benzoxazol-2-yl)-N-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide
PubChem CID97427865
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC Name(2R)-1-(1,3-benzoxazol-2-yl)-N-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1)[C@H]1CCCN1c1nc2ccccc2o1
InChIInChI=1S/C19H18FN3O2/c20-14-9-7-13(8-10-14)12-21-18(24)16-5-3-11-23(16)19-22-15-4-1-2-6-17(15)25-19/h1-2,4,6-10,16H,3,5,11-12H2,(H,21,24)/t16-/m1/s1
InChIKeyLWNMLDGDNVVNCS-MRXNPFEDSA-N
XLogP3.25
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(1,3-benzoxazol-2-yl)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]pyrrolidine-2-carboxamide
CID 129355095
(2R)-1-(1,3-benzoxazol-2-yl)-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]pyrrolidine-2-carboxamide
CID 124759800
1-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-3-[(4-fluorophenyl)methyl]urea
CID 121109534
1-(1,3-benzoxazol-2-yl)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]pyrrolidine-2-carboxamide
CID 90628011
(2R)-1-(1,3-benzoxazol-2-yl)pyrrolidine-2-carboxylic acid
CID 93429227
1-[[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-3-(4-fluorophenyl)urea
CID 90619148
[(2R)-1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 97427927
1-(1,3-benzoxazol-2-yl)-N-benzylpiperidine-3-carboxamide
CID 3622789
1-(1,3-benzoxazol-2-yl)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]pyrrolidine-2-carboxamide
CID 121177816
tert-butyl N-[3-[[1-(1,3-benzoxazol-2-yl)pyrrolidine-2-carbonyl]amino]propyl]carbamate
CID 126850572
1-(1,3-benzoxazol-2-yl)-N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]piperidine-2-carboxamide
CID 18340171
diethyl 2-[[(2R)-1-(1,3-benzoxazol-2-yl)pyrrolidine-2-carbonyl]amino]propanedioate
CID 99903586

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(1,3-benzoxazol-2-yl)-N-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-(1,3-benzoxazol-2-yl)-N-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide (CID 97427865) is (2R)-1-(1,3-benzoxazol-2-yl)-N-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-(1,3-benzoxazol-2-yl)-N-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-(1,3-benzoxazol-2-yl)-N-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide is O=C(NCc1ccc(F)cc1)[C@H]1CCCN1c1nc2ccccc2o1.
What is the InChIKey of (2R)-1-(1,3-benzoxazol-2-yl)-N-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is LWNMLDGDNVVNCS-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H18FN3O2/c20-14-9-7-13(8-10-14)12-21-18(24)16-5-3-11-23(16)19-22-15-4-1-2-6-17(15)25-19/h1-2,4,6-10,16H,3,5,11-12H2,(H,21,24)/t16-/m1/s1.
What are the key properties of (2R)-1-(1,3-benzoxazol-2-yl)-N-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide?
(2R)-1-(1,3-benzoxazol-2-yl)-N-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 339.37 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(1,3-benzoxazol-2-yl)-N-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 97427865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).