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

C18H15BrN2O2S — CID 55583076

IUPACN-[(3-bromophenyl)methyl]-N-cyclopropyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESO=C(c1cc(-c2cccs2)on1)N(Cc1cccc(Br)c1)C1CC1
InChIInChI=1S/C18H15BrN2O2S/c19-13-4-1-3-12(9-13)11-21(14-6-7-14)18(22)15-10-16(23-20-15)17-5-2-8-24-17/h1-5,8-10,14H,6-7,11H2
InChIKeyMEHGRXJKTUPOAX-UHFFFAOYSA-N
MW403.30 g/mol
LogP4.97
Rot. Bonds5

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

N-[(3-bromophenyl)methyl]-N-cyclopropyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 55583076) has the molecular formula C18H15BrN2O2S and a molecular weight of 403.30 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-N-cyclopropyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-N-cyclopropyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
PubChem CID55583076
Molecular FormulaC18H15BrN2O2S
Molecular Weight403.30 g/mol
Exact Mass402.00
IUPAC NameN-[(3-bromophenyl)methyl]-N-cyclopropyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESO=C(c1cc(-c2cccs2)on1)N(Cc1cccc(Br)c1)C1CC1
InChIInChI=1S/C18H15BrN2O2S/c19-13-4-1-3-12(9-13)11-21(14-6-7-14)18(22)15-10-16(23-20-15)17-5-2-8-24-17/h1-5,8-10,14H,6-7,11H2
InChIKeyMEHGRXJKTUPOAX-UHFFFAOYSA-N
XLogP4.97
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.30
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide
CID 51889465
N-[(3-bromophenyl)methyl]-N-cyclopropyl-1H-pyrazole-4-carboxamide
CID 122131882
N-[(4-tert-butylphenyl)methyl]-N-[(3R)-1,1-dioxothiolan-3-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 35340443
N-[(3-bromophenyl)methyl]-N-cyclopropyl-4-methylsulfinylbenzamide
CID 55594001
N-[(3-bromophenyl)methyl]-N-cyclopropyl-2-hydroxybenzamide
CID 112817182
N-[(3-bromophenyl)methyl]-N-cyclopropyl-3,4-dimethoxybenzamide
CID 55583180
N-[(3-bromophenyl)methyl]-N-cyclopropyl-1,3-benzodioxole-4-carboxamide
CID 55858537
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 39447049
5-bromo-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]pyridine-2-carboxamide
CID 62954767
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 55484093
N-[(3-bromophenyl)methyl]-N-cyclopropyl-5-(methoxymethyl)furan-2-carboxamide
CID 78851933
N-[(3-aminophenyl)methyl]-5-bromo-N-cyclopropylpyridine-2-carboxamide
CID 62960207

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-N-cyclopropyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(3-bromophenyl)methyl]-N-cyclopropyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (CID 55583076) is N-[(3-bromophenyl)methyl]-N-cyclopropyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-N-cyclopropyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(3-bromophenyl)methyl]-N-cyclopropyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is O=C(c1cc(-c2cccs2)on1)N(Cc1cccc(Br)c1)C1CC1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-N-cyclopropyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is MEHGRXJKTUPOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2O2S/c19-13-4-1-3-12(9-13)11-21(14-6-7-14)18(22)15-10-16(23-20-15)17-5-2-8-24-17/h1-5,8-10,14H,6-7,11H2.
What are the key properties of N-[(3-bromophenyl)methyl]-N-cyclopropyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
N-[(3-bromophenyl)methyl]-N-cyclopropyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 403.30 g/mol, XLogP of 4.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-N-cyclopropyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 55583076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).