N-[[3-(3-bromophenyl)-1,2-oxazol-5-yl]methyl]cyclopenta-1,3-diene-1-carboxamide

C16H13BrN2O2 — CID 130347905

IUPACN-[[3-(3-bromophenyl)-1,2-oxazol-5-yl]methyl]cyclopenta-1,3-diene-1-carboxamide
SMILESO=C(NCc1cc(-c2cccc(Br)c2)no1)C1=CC=CC1
InChIInChI=1S/C16H13BrN2O2/c17-13-7-3-6-12(8-13)15-9-14(21-19-15)10-18-16(20)11-4-1-2-5-11/h1-4,6-9H,5,10H2,(H,18,20)
InChIKeyBBQQZLUSRJUJOC-UHFFFAOYSA-N
MW345.20 g/mol
LogP3.61
Rot. Bonds4

About N-[[3-(3-bromophenyl)-1,2-oxazol-5-yl]methyl]cyclopenta-1,3-diene-1-carboxamide

N-[[3-(3-bromophenyl)-1,2-oxazol-5-yl]methyl]cyclopenta-1,3-diene-1-carboxamide (PubChem CID 130347905) has the molecular formula C16H13BrN2O2 and a molecular weight of 345.20 g/mol. Its IUPAC name is N-[[3-(3-bromophenyl)-1,2-oxazol-5-yl]methyl]cyclopenta-1,3-diene-1-carboxamide.

Molecular Properties

Compound NameN-[[3-(3-bromophenyl)-1,2-oxazol-5-yl]methyl]cyclopenta-1,3-diene-1-carboxamide
PubChem CID130347905
Molecular FormulaC16H13BrN2O2
Molecular Weight345.20 g/mol
Exact Mass344.02
IUPAC NameN-[[3-(3-bromophenyl)-1,2-oxazol-5-yl]methyl]cyclopenta-1,3-diene-1-carboxamide
SMILESO=C(NCc1cc(-c2cccc(Br)c2)no1)C1=CC=CC1
InChIInChI=1S/C16H13BrN2O2/c17-13-7-3-6-12(8-13)15-9-14(21-19-15)10-18-16(20)11-4-1-2-5-11/h1-4,6-9H,5,10H2,(H,18,20)
InChIKeyBBQQZLUSRJUJOC-UHFFFAOYSA-N
XLogP3.61
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]methyl]cyclopenta-1,3-diene-1-carboxamide
CID 130348152
N-[[3-(3-bromophenyl)-1,2-oxazol-5-yl]methyl]-5-chlorothiophene-2-carboxamide
CID 11696940
N-[[3-(3-bromophenyl)-1,2-oxazol-5-yl]methyl]-3-chlorothiophene-2-carboxamide
CID 91218948
(3-phenyl-1,2-oxazol-5-yl)methyl cyclopenta-1,3-diene-1-carboxylate
CID 130348153
N-[(3-phenyl-1,2-oxazol-5-yl)methyl]naphthalene-1-carboxamide
CID 71895813
3-(3-methoxyphenyl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1H-pyrazole-5-carboxamide
CID 70760747
N-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl]pyridine-2-carboxamide
CID 46949493
3-(3-bromophenyl)-N-[(2R)-1-(ethylamino)-1-oxobutan-2-yl]-1,2-oxazole-5-carboxamide
CID 167980380
tert-butyl N-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]carbamate
CID 68817763
2,6-dimethyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]quinoline-3-carboxamide
CID 46987595
N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-oxo-2H-isoquinoline-4-carboxamide
CID 166264253
N-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl]quinoxaline-2-carboxamide
CID 91795068

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-bromophenyl)-1,2-oxazol-5-yl]methyl]cyclopenta-1,3-diene-1-carboxamide?
The IUPAC name of N-[[3-(3-bromophenyl)-1,2-oxazol-5-yl]methyl]cyclopenta-1,3-diene-1-carboxamide (CID 130347905) is N-[[3-(3-bromophenyl)-1,2-oxazol-5-yl]methyl]cyclopenta-1,3-diene-1-carboxamide.
What is the SMILES notation for N-[[3-(3-bromophenyl)-1,2-oxazol-5-yl]methyl]cyclopenta-1,3-diene-1-carboxamide?
The canonical SMILES for N-[[3-(3-bromophenyl)-1,2-oxazol-5-yl]methyl]cyclopenta-1,3-diene-1-carboxamide is O=C(NCc1cc(-c2cccc(Br)c2)no1)C1=CC=CC1.
What is the InChIKey of N-[[3-(3-bromophenyl)-1,2-oxazol-5-yl]methyl]cyclopenta-1,3-diene-1-carboxamide?
The InChIKey is BBQQZLUSRJUJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O2/c17-13-7-3-6-12(8-13)15-9-14(21-19-15)10-18-16(20)11-4-1-2-5-11/h1-4,6-9H,5,10H2,(H,18,20).
What are the key properties of N-[[3-(3-bromophenyl)-1,2-oxazol-5-yl]methyl]cyclopenta-1,3-diene-1-carboxamide?
N-[[3-(3-bromophenyl)-1,2-oxazol-5-yl]methyl]cyclopenta-1,3-diene-1-carboxamide has a molecular weight of 345.20 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-bromophenyl)-1,2-oxazol-5-yl]methyl]cyclopenta-1,3-diene-1-carboxamide is sourced from PubChem (CID 130347905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).