3-fluoro-N-[[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzamide

C17H18FN3O3 — CID 53195374

IUPAC3-fluoro-N-[[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzamide
SMILESCc1oc(CNC(=O)c2cccc(F)c2)nc1C(=O)N1CCCC1
InChIInChI=1S/C17H18FN3O3/c1-11-15(17(23)21-7-2-3-8-21)20-14(24-11)10-19-16(22)12-5-4-6-13(18)9-12/h4-6,9H,2-3,7-8,10H2,1H3,(H,19,22)
InChIKeyWRMCCVWAHBBFEW-UHFFFAOYSA-N
MW331.35 g/mol
LogP2.29
Rot. Bonds4

About 3-fluoro-N-[[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzamide

3-fluoro-N-[[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzamide (PubChem CID 53195374) has the molecular formula C17H18FN3O3 and a molecular weight of 331.35 g/mol. Its IUPAC name is 3-fluoro-N-[[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzamide
PubChem CID53195374
Molecular FormulaC17H18FN3O3
Molecular Weight331.35 g/mol
Exact Mass331.13
IUPAC Name3-fluoro-N-[[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzamide
SMILESCc1oc(CNC(=O)c2cccc(F)c2)nc1C(=O)N1CCCC1
InChIInChI=1S/C17H18FN3O3/c1-11-15(17(23)21-7-2-3-8-21)20-14(24-11)10-19-16(22)12-5-4-6-13(18)9-12/h4-6,9H,2-3,7-8,10H2,1H3,(H,19,22)
InChIKeyWRMCCVWAHBBFEW-UHFFFAOYSA-N
XLogP2.29
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzamide
CID 53195398
N-[[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]-5-(trifluoromethyl)thiophene-2-carboxamide
CID 53195409
2-methyl-N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzamide
CID 53195525
3-(azepan-1-ylsulfonyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide
CID 87043422
(3-fluorophenyl)-piperidin-1-ylmethanone
CID 963335
3-fluoro-N-[[4-(piperazine-1-carbonyl)phenyl]methyl]benzamide
CID 39162973
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-sulfanylbenzamide
CID 106377771
3-fluoro-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 110731628
2,3-dimethyl-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]quinoxaline-6-carboxamide
CID 55692999
(3-fluorophenyl)-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 71837668
3-carbamothioyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide
CID 106372305
3-fluoro-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzamide
CID 122253116

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzamide?
The IUPAC name of 3-fluoro-N-[[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzamide (CID 53195374) is 3-fluoro-N-[[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzamide?
The canonical SMILES for 3-fluoro-N-[[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzamide is Cc1oc(CNC(=O)c2cccc(F)c2)nc1C(=O)N1CCCC1.
What is the InChIKey of 3-fluoro-N-[[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzamide?
The InChIKey is WRMCCVWAHBBFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O3/c1-11-15(17(23)21-7-2-3-8-21)20-14(24-11)10-19-16(22)12-5-4-6-13(18)9-12/h4-6,9H,2-3,7-8,10H2,1H3,(H,19,22).
What are the key properties of 3-fluoro-N-[[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzamide?
3-fluoro-N-[[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzamide has a molecular weight of 331.35 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzamide is sourced from PubChem (CID 53195374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).