N-[2-bromo-4-(piperidin-4-ylcarbamoyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide

C19H21BrN4O3 — CID 130188261

IUPACN-[2-bromo-4-(piperidin-4-ylcarbamoyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CCNCC1)c1ccc(NC(=O)c2cc(C3CC3)on2)c(Br)c1
InChIInChI=1S/C19H21BrN4O3/c20-14-9-12(18(25)22-13-5-7-21-8-6-13)3-4-15(14)23-19(26)16-10-17(27-24-16)11-1-2-11/h3-4,9-11,13,21H,1-2,5-8H2,(H,22,25)(H,23,26)
InChIKeyXCPQCBZQPOUMEK-UHFFFAOYSA-N
MW433.31 g/mol
LogP3.05
Rot. Bonds5

About N-[2-bromo-4-(piperidin-4-ylcarbamoyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide

N-[2-bromo-4-(piperidin-4-ylcarbamoyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide (PubChem CID 130188261) has the molecular formula C19H21BrN4O3 and a molecular weight of 433.31 g/mol. Its IUPAC name is N-[2-bromo-4-(piperidin-4-ylcarbamoyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-bromo-4-(piperidin-4-ylcarbamoyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
PubChem CID130188261
Molecular FormulaC19H21BrN4O3
Molecular Weight433.31 g/mol
Exact Mass432.08
IUPAC NameN-[2-bromo-4-(piperidin-4-ylcarbamoyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CCNCC1)c1ccc(NC(=O)c2cc(C3CC3)on2)c(Br)c1
InChIInChI=1S/C19H21BrN4O3/c20-14-9-12(18(25)22-13-5-7-21-8-6-13)3-4-15(14)23-19(26)16-10-17(27-24-16)11-1-2-11/h3-4,9-11,13,21H,1-2,5-8H2,(H,22,25)(H,23,26)
InChIKeyXCPQCBZQPOUMEK-UHFFFAOYSA-N
XLogP3.05
TPSA96.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.31
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyclopropyl-N-piperidin-4-yl-1,2-oxazole-3-carboxamide;2,2,2-trifluoroacetic acid
CID 154891187
N-[3-bromo-4-(cyclohexylcarbamoyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 159575423
3-bromo-4-methyl-N-pyrrolidin-3-ylbenzamide
CID 81472649
5-cyclopropyl-N-(4-oxo-1H-pyridin-3-yl)-1,2-oxazole-3-carboxamide
CID 71937067
4-bromo-3-fluoro-N-piperidin-4-ylbenzamide;hydrochloride
CID 119386400
5-cyclopropyl-N-(2-cyclopropyl-3-pyridinyl)-1,2-oxazole-3-carboxamide
CID 154778935
N-(azepan-4-yl)-4-bromo-3-fluorobenzamide
CID 105059141
7-bromo-N-piperidin-4-yl-1,3-benzodioxole-5-carboxamide
CID 119389791
5-cyclopropyl-N-[(3S,4S)-4-methyl-1-piperidin-4-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 140808738
5-cyclopropyl-N-[(3S,4R)-4-methyl-1-piperidin-4-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130386694
N-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 118947233
5-bromo-N-piperidin-4-yl-2,3-dihydro-1,4-benzodioxine-7-carboxamide;hydrochloride
CID 119386112

Frequently Asked Questions

What is the IUPAC name of N-[2-bromo-4-(piperidin-4-ylcarbamoyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-bromo-4-(piperidin-4-ylcarbamoyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide (CID 130188261) is N-[2-bromo-4-(piperidin-4-ylcarbamoyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-bromo-4-(piperidin-4-ylcarbamoyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-bromo-4-(piperidin-4-ylcarbamoyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide is O=C(NC1CCNCC1)c1ccc(NC(=O)c2cc(C3CC3)on2)c(Br)c1.
What is the InChIKey of N-[2-bromo-4-(piperidin-4-ylcarbamoyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The InChIKey is XCPQCBZQPOUMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN4O3/c20-14-9-12(18(25)22-13-5-7-21-8-6-13)3-4-15(14)23-19(26)16-10-17(27-24-16)11-1-2-11/h3-4,9-11,13,21H,1-2,5-8H2,(H,22,25)(H,23,26).
What are the key properties of N-[2-bromo-4-(piperidin-4-ylcarbamoyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
N-[2-bromo-4-(piperidin-4-ylcarbamoyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide has a molecular weight of 433.31 g/mol, XLogP of 3.05, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-bromo-4-(piperidin-4-ylcarbamoyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 130188261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).