N-[[3-(aminomethyl)phenyl]methyl]-N-[[2-(cyclohexanecarbonylamino)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

C28H34N4O3 — CID 23762640

IUPACN-[[3-(aminomethyl)phenyl]methyl]-N-[[2-(cyclohexanecarbonylamino)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)N(Cc1cccc(CN)c1)Cc1ccccc1NC(=O)C1CCCCC1
InChIInChI=1S/C28H34N4O3/c1-19-26(20(2)35-31-19)28(34)32(17-22-10-8-9-21(15-22)16-29)18-24-13-6-7-14-25(24)30-27(33)23-11-4-3-5-12-23/h6-10,13-15,23H,3-5,11-12,16-18,29H2,1-2H3,(H,30,33)
InChIKeyHDNPMHKNEOCPNG-UHFFFAOYSA-N
MW474.61 g/mol
LogP5.11
Rot. Bonds8

About N-[[3-(aminomethyl)phenyl]methyl]-N-[[2-(cyclohexanecarbonylamino)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

N-[[3-(aminomethyl)phenyl]methyl]-N-[[2-(cyclohexanecarbonylamino)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 23762640) has the molecular formula C28H34N4O3 and a molecular weight of 474.61 g/mol. Its IUPAC name is N-[[3-(aminomethyl)phenyl]methyl]-N-[[2-(cyclohexanecarbonylamino)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[[3-(aminomethyl)phenyl]methyl]-N-[[2-(cyclohexanecarbonylamino)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID23762640
Molecular FormulaC28H34N4O3
Molecular Weight474.61 g/mol
Exact Mass474.26
IUPAC NameN-[[3-(aminomethyl)phenyl]methyl]-N-[[2-(cyclohexanecarbonylamino)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)N(Cc1cccc(CN)c1)Cc1ccccc1NC(=O)C1CCCCC1
InChIInChI=1S/C28H34N4O3/c1-19-26(20(2)35-31-19)28(34)32(17-22-10-8-9-21(15-22)16-29)18-24-13-6-7-14-25(24)30-27(33)23-11-4-3-5-12-23/h6-10,13-15,23H,3-5,11-12,16-18,29H2,1-2H3,(H,30,33)
InChIKeyHDNPMHKNEOCPNG-UHFFFAOYSA-N
XLogP5.11
TPSA101.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.61
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[3-(aminomethyl)phenyl]methyl]-N-[[2-(cyclohexanecarbonylamino)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide with MolForge

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Related Compounds

N-[2-[(dimethylamino)methyl]phenyl]cyclohexanecarboxamide
CID 31969965
N-[2-[[[3-(aminomethyl)phenyl]methyl-(cyclohexanecarbonyl)amino]methyl]phenyl]-4-cyanobenzamide
CID 23792446
N-[(3-fluorophenyl)methyl]-3,5-dimethyl-N-(oxolan-2-ylmethyl)-1,2-oxazole-4-carboxamide
CID 71935038
N-[2-[[[3-(aminomethyl)phenyl]methyl-(cyclopropanecarbonyl)amino]methyl]phenyl]thiophene-2-carboxamide
CID 23820529
N-[2-(chloromethyl)phenyl]cyclohexanecarboxamide
CID 114298121
N-(2-ethylphenyl)cyclopentanecarboxamide
CID 897142
N-[2-[[[3-(aminomethyl)phenyl]methyl-(3-fluorobenzoyl)amino]methyl]phenyl]-3-fluorobenzamide
CID 23962180
1-N-(2-ethylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)cyclohexane-1,4-dicarboxamide
CID 109150775
N-[3-(cyclopropanecarbonylamino)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 38324737
N-(2-carbamothioyl-3-methylphenyl)cyclohexanecarboxamide
CID 107805800
N-[2-[[acetyl(methyl)amino]methyl]phenyl]-3-(cyclohexanecarbonylamino)benzamide
CID 32582405
N-[2-(aminomethyl)phenyl]piperidine-4-carboxamide
CID 110482330

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-N-[[2-(cyclohexanecarbonylamino)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-N-[[2-(cyclohexanecarbonylamino)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (CID 23762640) is N-[[3-(aminomethyl)phenyl]methyl]-N-[[2-(cyclohexanecarbonylamino)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[[3-(aminomethyl)phenyl]methyl]-N-[[2-(cyclohexanecarbonylamino)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[[3-(aminomethyl)phenyl]methyl]-N-[[2-(cyclohexanecarbonylamino)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)N(Cc1cccc(CN)c1)Cc1ccccc1NC(=O)C1CCCCC1.
What is the InChIKey of N-[[3-(aminomethyl)phenyl]methyl]-N-[[2-(cyclohexanecarbonylamino)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is HDNPMHKNEOCPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O3/c1-19-26(20(2)35-31-19)28(34)32(17-22-10-8-9-21(15-22)16-29)18-24-13-6-7-14-25(24)30-27(33)23-11-4-3-5-12-23/h6-10,13-15,23H,3-5,11-12,16-18,29H2,1-2H3,(H,30,33).
What are the key properties of N-[[3-(aminomethyl)phenyl]methyl]-N-[[2-(cyclohexanecarbonylamino)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
N-[[3-(aminomethyl)phenyl]methyl]-N-[[2-(cyclohexanecarbonylamino)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 474.61 g/mol, XLogP of 5.11, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)phenyl]methyl]-N-[[2-(cyclohexanecarbonylamino)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 23762640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).