N-[1-(4-bromophenyl)cyclopropyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide

C17H13BrN2O3 — CID 75493636

IUPACN-[1-(4-bromophenyl)cyclopropyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
SMILESO=C(NC1(c2ccc(Br)cc2)CC1)c1cc(-c2ccco2)on1
InChIInChI=1S/C17H13BrN2O3/c18-12-5-3-11(4-6-12)17(7-8-17)19-16(21)13-10-15(23-20-13)14-2-1-9-22-14/h1-6,9-10H,7-8H2,(H,19,21)
InChIKeyIPHGYMUGXHSFSK-UHFFFAOYSA-N
MW373.21 g/mol
LogP4.12
Rot. Bonds4

About N-[1-(4-bromophenyl)cyclopropyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide

N-[1-(4-bromophenyl)cyclopropyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide (PubChem CID 75493636) has the molecular formula C17H13BrN2O3 and a molecular weight of 373.21 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)cyclopropyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)cyclopropyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
PubChem CID75493636
Molecular FormulaC17H13BrN2O3
Molecular Weight373.21 g/mol
Exact Mass372.01
IUPAC NameN-[1-(4-bromophenyl)cyclopropyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
SMILESO=C(NC1(c2ccc(Br)cc2)CC1)c1cc(-c2ccco2)on1
InChIInChI=1S/C17H13BrN2O3/c18-12-5-3-11(4-6-12)17(7-8-17)19-16(21)13-10-15(23-20-13)14-2-1-9-22-14/h1-6,9-10H,7-8H2,(H,19,21)
InChIKeyIPHGYMUGXHSFSK-UHFFFAOYSA-N
XLogP4.12
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.21
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(furan-2-yl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-1,2-oxazole-3-carboxamide
CID 51076156
N-(5-bromo-2-hydroxyphenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 15995144
3-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]oxolane-3-carboxylic acid
CID 64888025
5-(furan-2-yl)-1,2-oxazole-3-carbonyl chloride
CID 2795555
N-(2-bromo-4,6-difluorophenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 3245278
N-[1-(3-bromophenyl)ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 55599574
5-(furan-2-yl)-N-(2-hydroxyphenyl)-1,2-oxazole-3-carboxamide
CID 24739268
(2S)-2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]-3-methylbutanoic acid
CID 61136607
5-(furan-2-yl)-N-[(3-hydroxyoxolan-3-yl)methyl]-1,2-oxazole-3-carboxamide
CID 103849044
N-(2-amino-2-ethylbutyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 119643486
5-(furan-2-yl)-N-(2-methoxyethyl)-1,2-oxazole-3-carboxamide
CID 15995731
N-[3-(aminomethyl)pentan-3-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 119571702

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)cyclopropyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[1-(4-bromophenyl)cyclopropyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide (CID 75493636) is N-[1-(4-bromophenyl)cyclopropyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[1-(4-bromophenyl)cyclopropyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[1-(4-bromophenyl)cyclopropyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide is O=C(NC1(c2ccc(Br)cc2)CC1)c1cc(-c2ccco2)on1.
What is the InChIKey of N-[1-(4-bromophenyl)cyclopropyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is IPHGYMUGXHSFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN2O3/c18-12-5-3-11(4-6-12)17(7-8-17)19-16(21)13-10-15(23-20-13)14-2-1-9-22-14/h1-6,9-10H,7-8H2,(H,19,21).
What are the key properties of N-[1-(4-bromophenyl)cyclopropyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
N-[1-(4-bromophenyl)cyclopropyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 373.21 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)cyclopropyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 75493636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).