N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-methyl-1-(1-phenylpyrazol-4-yl)methanamine

C21H19ClN4O — CID 27101616

IUPACN-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-methyl-1-(1-phenylpyrazol-4-yl)methanamine
SMILESCN(Cc1cnn(-c2ccccc2)c1)Cc1ncc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C21H19ClN4O/c1-25(13-16-11-24-26(14-16)19-5-3-2-4-6-19)15-21-23-12-20(27-21)17-7-9-18(22)10-8-17/h2-12,14H,13,15H2,1H3
InChIKeyJODVNTNXPPCOGR-UHFFFAOYSA-N
MW378.86 g/mol
LogP4.81
Rot. Bonds6

About N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-methyl-1-(1-phenylpyrazol-4-yl)methanamine

N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-methyl-1-(1-phenylpyrazol-4-yl)methanamine (PubChem CID 27101616) has the molecular formula C21H19ClN4O and a molecular weight of 378.86 g/mol. Its IUPAC name is N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-methyl-1-(1-phenylpyrazol-4-yl)methanamine.

Molecular Properties

Compound NameN-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-methyl-1-(1-phenylpyrazol-4-yl)methanamine
PubChem CID27101616
Molecular FormulaC21H19ClN4O
Molecular Weight378.86 g/mol
Exact Mass378.12
IUPAC NameN-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-methyl-1-(1-phenylpyrazol-4-yl)methanamine
SMILESCN(Cc1cnn(-c2ccccc2)c1)Cc1ncc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C21H19ClN4O/c1-25(13-16-11-24-26(14-16)19-5-3-2-4-6-19)15-21-23-12-20(27-21)17-7-9-18(22)10-8-17/h2-12,14H,13,15H2,1H3
InChIKeyJODVNTNXPPCOGR-UHFFFAOYSA-N
XLogP4.81
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-methyl-1-(1-phenylpyrazol-4-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,4-dichlorophenyl)-N-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]methanamine
CID 9251492
2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]acetic acid
CID 43442560
5-(4-chlorophenyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-oxazole
CID 24591814
N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-methylbenzenesulfonamide
CID 51228013
N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 86980187
N-methyl-1-(1-phenylpyrazol-4-yl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 56888809
1-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]butan-2-ol
CID 111105745
N-ethyl-2-[5-(1-phenylpyrazol-4-yl)-1,3-oxazol-2-yl]ethanamine
CID 65183099
4-[(4-chlorophenoxy)methyl]-1-phenylpyrazole
CID 60710740
N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-ethylethanamine;hydrate;hydrochloride
CID 21152472
4-(4-chlorophenyl)-1-phenylpyrazole
CID 4152296
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 24648761

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-methyl-1-(1-phenylpyrazol-4-yl)methanamine?
The IUPAC name of N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-methyl-1-(1-phenylpyrazol-4-yl)methanamine (CID 27101616) is N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-methyl-1-(1-phenylpyrazol-4-yl)methanamine.
What is the SMILES notation for N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-methyl-1-(1-phenylpyrazol-4-yl)methanamine?
The canonical SMILES for N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-methyl-1-(1-phenylpyrazol-4-yl)methanamine is CN(Cc1cnn(-c2ccccc2)c1)Cc1ncc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-methyl-1-(1-phenylpyrazol-4-yl)methanamine?
The InChIKey is JODVNTNXPPCOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O/c1-25(13-16-11-24-26(14-16)19-5-3-2-4-6-19)15-21-23-12-20(27-21)17-7-9-18(22)10-8-17/h2-12,14H,13,15H2,1H3.
What are the key properties of N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-methyl-1-(1-phenylpyrazol-4-yl)methanamine?
N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-methyl-1-(1-phenylpyrazol-4-yl)methanamine has a molecular weight of 378.86 g/mol, XLogP of 4.81, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-methyl-1-(1-phenylpyrazol-4-yl)methanamine is sourced from PubChem (CID 27101616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).