N-[2-[4-(5-chloro-2-fluorophenyl)phenyl]ethyl]-5-methyl-1,3-oxazole-2-carboxamide

C19H16ClFN2O2 — CID 130218010

IUPACN-[2-[4-(5-chloro-2-fluorophenyl)phenyl]ethyl]-5-methyl-1,3-oxazole-2-carboxamide
SMILESCc1cnc(C(=O)NCCc2ccc(-c3cc(Cl)ccc3F)cc2)o1
InChIInChI=1S/C19H16ClFN2O2/c1-12-11-23-19(25-12)18(24)22-9-8-13-2-4-14(5-3-13)16-10-15(20)6-7-17(16)21/h2-7,10-11H,8-9H2,1H3,(H,22,24)
InChIKeyMVAOYLMRMUZVPT-UHFFFAOYSA-N
MW358.80 g/mol
LogP4.42
Rot. Bonds5

About N-[2-[4-(5-chloro-2-fluorophenyl)phenyl]ethyl]-5-methyl-1,3-oxazole-2-carboxamide

N-[2-[4-(5-chloro-2-fluorophenyl)phenyl]ethyl]-5-methyl-1,3-oxazole-2-carboxamide (PubChem CID 130218010) has the molecular formula C19H16ClFN2O2 and a molecular weight of 358.80 g/mol. Its IUPAC name is N-[2-[4-(5-chloro-2-fluorophenyl)phenyl]ethyl]-5-methyl-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(5-chloro-2-fluorophenyl)phenyl]ethyl]-5-methyl-1,3-oxazole-2-carboxamide
PubChem CID130218010
Molecular FormulaC19H16ClFN2O2
Molecular Weight358.80 g/mol
Exact Mass358.09
IUPAC NameN-[2-[4-(5-chloro-2-fluorophenyl)phenyl]ethyl]-5-methyl-1,3-oxazole-2-carboxamide
SMILESCc1cnc(C(=O)NCCc2ccc(-c3cc(Cl)ccc3F)cc2)o1
InChIInChI=1S/C19H16ClFN2O2/c1-12-11-23-19(25-12)18(24)22-9-8-13-2-4-14(5-3-13)16-10-15(20)6-7-17(16)21/h2-7,10-11H,8-9H2,1H3,(H,22,24)
InChIKeyMVAOYLMRMUZVPT-UHFFFAOYSA-N
XLogP4.42
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.80
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-fluorobenzamide
CID 9081924
5-[2-(4-chlorophenyl)ethylamino]-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 109192321
5-chloro-2-fluoro-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 26586018
ethyl (3R)-3-amino-5-[4-(5-chloro-2-fluorophenyl)phenyl]pentanoate
CID 149101647
5-chloro-2-hydroxy-N-[2-(4-phenylphenyl)ethyl]benzamide
CID 90932345
(2S,4S)-2-[[(2-aminoacetyl)amino]methyl]-4-[[4-(5-chloro-2-fluorophenyl)phenyl]methyl]-6-(5-methyl-1,3-oxazol-2-yl)-6-oxohexanoic acid;(2S,4S)-4-[[4-(5-chloro-2-fluorophenyl)phenyl]methyl]-2-[[[2-[[hydroxy(methyl)boranyl]amino]acetyl]amino]methyl]-6-(5-methyl-1,3-oxazol-2-yl)-6-oxohexanoic acid
CID 159816548
4-[(5-methyl-1,3-oxazole-2-carbonyl)amino]butanoic acid
CID 110835178
5-(4-chloro-2-methylanilino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109192765
2-(4-chloro-2-methylanilino)-N-[2-(4-fluorophenyl)ethyl]pyrimidine-5-carboxamide
CID 109260068
4-chloro-2-fluoro-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 26024473
N-[2-(4-chlorophenyl)ethyl]-5-(2,4-difluoroanilino)pyridine-2-carboxamide
CID 109193674
N-[2-(4-chlorophenyl)ethyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 35702435

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(5-chloro-2-fluorophenyl)phenyl]ethyl]-5-methyl-1,3-oxazole-2-carboxamide?
The IUPAC name of N-[2-[4-(5-chloro-2-fluorophenyl)phenyl]ethyl]-5-methyl-1,3-oxazole-2-carboxamide (CID 130218010) is N-[2-[4-(5-chloro-2-fluorophenyl)phenyl]ethyl]-5-methyl-1,3-oxazole-2-carboxamide.
What is the SMILES notation for N-[2-[4-(5-chloro-2-fluorophenyl)phenyl]ethyl]-5-methyl-1,3-oxazole-2-carboxamide?
The canonical SMILES for N-[2-[4-(5-chloro-2-fluorophenyl)phenyl]ethyl]-5-methyl-1,3-oxazole-2-carboxamide is Cc1cnc(C(=O)NCCc2ccc(-c3cc(Cl)ccc3F)cc2)o1.
What is the InChIKey of N-[2-[4-(5-chloro-2-fluorophenyl)phenyl]ethyl]-5-methyl-1,3-oxazole-2-carboxamide?
The InChIKey is MVAOYLMRMUZVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN2O2/c1-12-11-23-19(25-12)18(24)22-9-8-13-2-4-14(5-3-13)16-10-15(20)6-7-17(16)21/h2-7,10-11H,8-9H2,1H3,(H,22,24).
What are the key properties of N-[2-[4-(5-chloro-2-fluorophenyl)phenyl]ethyl]-5-methyl-1,3-oxazole-2-carboxamide?
N-[2-[4-(5-chloro-2-fluorophenyl)phenyl]ethyl]-5-methyl-1,3-oxazole-2-carboxamide has a molecular weight of 358.80 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(5-chloro-2-fluorophenyl)phenyl]ethyl]-5-methyl-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 130218010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).