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

C17H19BrN4O3 — CID 130188260

IUPACN-[4-(3-aminopropylcarbamoyl)-3-bromophenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
SMILESNCCCNC(=O)c1ccc(NC(=O)c2cc(C3CC3)on2)cc1Br
InChIInChI=1S/C17H19BrN4O3/c18-13-8-11(4-5-12(13)16(23)20-7-1-6-19)21-17(24)14-9-15(25-22-14)10-2-3-10/h4-5,8-10H,1-3,6-7,19H2,(H,20,23)(H,21,24)
InChIKeyHSJVKAYIEBECQK-UHFFFAOYSA-N
MW407.27 g/mol
LogP2.65
Rot. Bonds7

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

N-[4-(3-aminopropylcarbamoyl)-3-bromophenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide (PubChem CID 130188260) has the molecular formula C17H19BrN4O3 and a molecular weight of 407.27 g/mol. Its IUPAC name is N-[4-(3-aminopropylcarbamoyl)-3-bromophenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(3-aminopropylcarbamoyl)-3-bromophenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
PubChem CID130188260
Molecular FormulaC17H19BrN4O3
Molecular Weight407.27 g/mol
Exact Mass406.06
IUPAC NameN-[4-(3-aminopropylcarbamoyl)-3-bromophenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
SMILESNCCCNC(=O)c1ccc(NC(=O)c2cc(C3CC3)on2)cc1Br
InChIInChI=1S/C17H19BrN4O3/c18-13-8-11(4-5-12(13)16(23)20-7-1-6-19)21-17(24)14-9-15(25-22-14)10-2-3-10/h4-5,8-10H,1-3,6-7,19H2,(H,20,23)(H,21,24)
InChIKeyHSJVKAYIEBECQK-UHFFFAOYSA-N
XLogP2.65
TPSA110.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.27
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-bromo-4-(cyclohexylcarbamoyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 159575423
N-[4-(3-aminopropylsulfamoyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 130188238
4-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-2-fluorobenzoic acid
CID 103791445
N-[3-(2-aminoethylamino)sulfanylphenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 145039805
4-amino-N-(3-aminopropyl)-2-bromobenzamide
CID 110487161
N-[6-(2-aminoanilino)-6-oxohexyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 45137892
5-cyclopropyl-N-(1-ethyl-6-oxo-3-pyridinyl)-1,2-oxazole-3-carboxamide
CID 146323310
N-(2-chloroprop-2-enyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 115636972
5-cyclopropyl-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-1,2-oxazole-3-carboxamide
CID 34110514
N-(3-aminopropyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 110833086
N-[1-(3-aminopropylsulfanyl)piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 145040477
N-[3-benzyl-4-(difluoromethoxy)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 24668099

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-aminopropylcarbamoyl)-3-bromophenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[4-(3-aminopropylcarbamoyl)-3-bromophenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide (CID 130188260) is N-[4-(3-aminopropylcarbamoyl)-3-bromophenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[4-(3-aminopropylcarbamoyl)-3-bromophenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[4-(3-aminopropylcarbamoyl)-3-bromophenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide is NCCCNC(=O)c1ccc(NC(=O)c2cc(C3CC3)on2)cc1Br.
What is the InChIKey of N-[4-(3-aminopropylcarbamoyl)-3-bromophenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The InChIKey is HSJVKAYIEBECQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN4O3/c18-13-8-11(4-5-12(13)16(23)20-7-1-6-19)21-17(24)14-9-15(25-22-14)10-2-3-10/h4-5,8-10H,1-3,6-7,19H2,(H,20,23)(H,21,24).
What are the key properties of N-[4-(3-aminopropylcarbamoyl)-3-bromophenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
N-[4-(3-aminopropylcarbamoyl)-3-bromophenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide has a molecular weight of 407.27 g/mol, XLogP of 2.65, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-aminopropylcarbamoyl)-3-bromophenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 130188260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).