N-[[4-(dimethylamino)phenyl]methyl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide

C20H25N5O2 — CID 20949031

IUPACN-[[4-(dimethylamino)phenyl]methyl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C)n(Cc2c(C(=O)NCc3ccc(N(C)C)cc3)noc2C)n1
InChIInChI=1S/C20H25N5O2/c1-13-10-14(2)25(22-13)12-18-15(3)27-23-19(18)20(26)21-11-16-6-8-17(9-7-16)24(4)5/h6-10H,11-12H2,1-5H3,(H,21,26)
InChIKeyBQEGRBRIXDFMKS-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.84
Rot. Bonds6

About N-[[4-(dimethylamino)phenyl]methyl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide

N-[[4-(dimethylamino)phenyl]methyl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 20949031) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID20949031
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C)n(Cc2c(C(=O)NCc3ccc(N(C)C)cc3)noc2C)n1
InChIInChI=1S/C20H25N5O2/c1-13-10-14(2)25(22-13)12-18-15(3)27-23-19(18)20(26)21-11-16-6-8-17(9-7-16)24(4)5/h6-10H,11-12H2,1-5H3,(H,21,26)
InChIKeyBQEGRBRIXDFMKS-UHFFFAOYSA-N
XLogP2.84
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(3-ethoxypropyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 20949001
4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-N-(3-pyrrolidin-1-ylpropyl)-1,2-oxazole-3-carboxamide
CID 20949016
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(furan-2-yl)propan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 20949011
N-[(2-chlorophenyl)methyl]-5-methyl-4-[(5-methyl-3-nitropyrazol-1-yl)methyl]-1,2-oxazole-3-carboxamide
CID 19442527
N-(2,6-dimethylphenyl)-5-methyl-4-[(5-methyl-3-nitropyrazol-1-yl)methyl]-1,2-oxazole-3-carboxamide
CID 19442512
N-[[4-(dimethylamino)phenyl]methyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide
CID 30186519
N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-5-methyl-4-(phenoxymethyl)-1,2-oxazole-3-carboxamide
CID 19486450
N-[1-[(4-bromophenyl)methyl]-5-methylpyrazol-3-yl]-5-methyl-4-[(5-methyl-3-nitropyrazol-1-yl)methyl]-1,2-oxazole-3-carboxamide
CID 19442632
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 48986640
4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-N-(1-methylpiperidin-4-yl)-N-(oxolan-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 46968699
N-(2,4-dimethylphenyl)-5-methyl-4-[(5-methyl-3-nitropyrazol-1-yl)methyl]-1,2-oxazole-3-carboxamide
CID 19442466
N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-[(2-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19490246

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide (CID 20949031) is N-[[4-(dimethylamino)phenyl]methyl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C)n(Cc2c(C(=O)NCc3ccc(N(C)C)cc3)noc2C)n1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is BQEGRBRIXDFMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-13-10-14(2)25(22-13)12-18-15(3)27-23-19(18)20(26)21-11-16-6-8-17(9-7-16)24(4)5/h6-10H,11-12H2,1-5H3,(H,21,26).
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[[4-(dimethylamino)phenyl]methyl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 20949031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).