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

C20H17FN4O3 — CID 37342518

IUPACN-[4-(cyclopropylcarbamoylamino)phenyl]-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1ccc(NC(=O)c2cc(-c3ccccc3F)on2)cc1)NC1CC1
InChIInChI=1S/C20H17FN4O3/c21-16-4-2-1-3-15(16)18-11-17(25-28-18)19(26)22-12-5-7-13(8-6-12)23-20(27)24-14-9-10-14/h1-8,11,14H,9-10H2,(H,22,26)(H2,23,24,27)
InChIKeyYILUESWFGZYEDN-UHFFFAOYSA-N
MW380.38 g/mol
LogP4.02
Rot. Bonds5

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

N-[4-(cyclopropylcarbamoylamino)phenyl]-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide (PubChem CID 37342518) has the molecular formula C20H17FN4O3 and a molecular weight of 380.38 g/mol. Its IUPAC name is N-[4-(cyclopropylcarbamoylamino)phenyl]-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(cyclopropylcarbamoylamino)phenyl]-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide
PubChem CID37342518
Molecular FormulaC20H17FN4O3
Molecular Weight380.38 g/mol
Exact Mass380.13
IUPAC NameN-[4-(cyclopropylcarbamoylamino)phenyl]-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1ccc(NC(=O)c2cc(-c3ccccc3F)on2)cc1)NC1CC1
InChIInChI=1S/C20H17FN4O3/c21-16-4-2-1-3-15(16)18-11-17(25-28-18)19(26)22-12-5-7-13(8-6-12)23-20(27)24-14-9-10-14/h1-8,11,14H,9-10H2,(H,22,26)(H2,23,24,27)
InChIKeyYILUESWFGZYEDN-UHFFFAOYSA-N
XLogP4.02
TPSA96.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.38
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-fluorophenyl)-N-phenyl-1,2-oxazole-3-carboxamide
CID 46480950
5-(2-fluorophenyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2-oxazole-3-carboxamide
CID 55638814
5-(2-fluorophenyl)-N-[2-(trifluoromethyl)cyclohexyl]-1,2-oxazole-3-carboxamide
CID 55639151
N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 94828983
N-(3-carbamoyl-2-bicyclo[2.2.1]heptanyl)-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 154749020
N-(4-bromophenyl)-5-(2-hydroxyphenyl)-1,2-oxazole-3-carboxamide
CID 135573197
5-(3-chlorophenyl)-N-[4-(cyclopropylcarbamoyl)phenyl]-1,2-oxazole-3-carboxamide
CID 55638985
N-[4-(cyclopropylcarbamoylamino)phenyl]-3,5-difluorobenzamide
CID 52559092
5-(2-fluorophenyl)-N,N-dimethyl-1,2-oxazole-3-carboxamide
CID 37338212
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 55638766
1-cyclopropyl-3-(4-fluorophenyl)urea
CID 840492
4-(cyclopropylcarbamoylamino)-N-phenylbenzamide
CID 39885806

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopropylcarbamoylamino)phenyl]-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[4-(cyclopropylcarbamoylamino)phenyl]-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide (CID 37342518) is N-[4-(cyclopropylcarbamoylamino)phenyl]-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[4-(cyclopropylcarbamoylamino)phenyl]-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[4-(cyclopropylcarbamoylamino)phenyl]-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide is O=C(Nc1ccc(NC(=O)c2cc(-c3ccccc3F)on2)cc1)NC1CC1.
What is the InChIKey of N-[4-(cyclopropylcarbamoylamino)phenyl]-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is YILUESWFGZYEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O3/c21-16-4-2-1-3-15(16)18-11-17(25-28-18)19(26)22-12-5-7-13(8-6-12)23-20(27)24-14-9-10-14/h1-8,11,14H,9-10H2,(H,22,26)(H2,23,24,27).
What are the key properties of N-[4-(cyclopropylcarbamoylamino)phenyl]-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide?
N-[4-(cyclopropylcarbamoylamino)phenyl]-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 380.38 g/mol, XLogP of 4.02, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopropylcarbamoylamino)phenyl]-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 37342518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).