2-benzyl-N-methyl-N-(1-pyrimidin-4-ylethyl)-1,3-benzoxazole-5-carboxamide

C22H20N4O2 — CID 24793102

IUPAC2-benzyl-N-methyl-N-(1-pyrimidin-4-ylethyl)-1,3-benzoxazole-5-carboxamide
SMILESCC(c1ccncn1)N(C)C(=O)c1ccc2oc(Cc3ccccc3)nc2c1
InChIInChI=1S/C22H20N4O2/c1-15(18-10-11-23-14-24-18)26(2)22(27)17-8-9-20-19(13-17)25-21(28-20)12-16-6-4-3-5-7-16/h3-11,13-15H,12H2,1-2H3
InChIKeyMBRYCPCETAGMKI-UHFFFAOYSA-N
MW372.43 g/mol
LogP4.04
Rot. Bonds5

About 2-benzyl-N-methyl-N-(1-pyrimidin-4-ylethyl)-1,3-benzoxazole-5-carboxamide

2-benzyl-N-methyl-N-(1-pyrimidin-4-ylethyl)-1,3-benzoxazole-5-carboxamide (PubChem CID 24793102) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 2-benzyl-N-methyl-N-(1-pyrimidin-4-ylethyl)-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound Name2-benzyl-N-methyl-N-(1-pyrimidin-4-ylethyl)-1,3-benzoxazole-5-carboxamide
PubChem CID24793102
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name2-benzyl-N-methyl-N-(1-pyrimidin-4-ylethyl)-1,3-benzoxazole-5-carboxamide
SMILESCC(c1ccncn1)N(C)C(=O)c1ccc2oc(Cc3ccccc3)nc2c1
InChIInChI=1S/C22H20N4O2/c1-15(18-10-11-23-14-24-18)26(2)22(27)17-8-9-20-19(13-17)25-21(28-20)12-16-6-4-3-5-7-16/h3-11,13-15H,12H2,1-2H3
InChIKeyMBRYCPCETAGMKI-UHFFFAOYSA-N
XLogP4.04
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Amg 579
CID 59351313
Ontazolast
CID 71458
1-{(3s)-1-[4-(1-Benzofuran-2-Yl)pyrimidin-2-Yl]piperidin-3-Yl}-3-Ethyl-1,3-Dihydro-2h-Benzimidazol-2-One
CID 25198728
(2-Cyclohexyl-1,3-Benzoxazol-6-Yl){3-[4-(Pyrimidin-2-Yl)piperazin-1-Yl]azetidin-1-Yl}methanone
CID 45279979
Pyrimidine-4-carboxamide, 91
CID 44520971
Pyrimidine-4-carboxamide, 93
CID 44520972
Pyrimidine-4-carboxamide, 92
CID 44520973
Pyrimidine-4-carboxamide, 94
CID 44520974
Pyrimidine-4-carboxamide, 28
CID 44520987
2-(4-{[2-(4-Methoxy-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}piperazin-1-yl)pyrimidine
CID 16188772
N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-propan-2-yl-1,3-benzoxazole-5-carboxamide
CID 24791737
4-[4-(2-Methoxyphenyl)piperazin-1-yl][1]benzofuro[3,2-d]pyrimidine
CID 664216

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-methyl-N-(1-pyrimidin-4-ylethyl)-1,3-benzoxazole-5-carboxamide?
The IUPAC name of 2-benzyl-N-methyl-N-(1-pyrimidin-4-ylethyl)-1,3-benzoxazole-5-carboxamide (CID 24793102) is 2-benzyl-N-methyl-N-(1-pyrimidin-4-ylethyl)-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for 2-benzyl-N-methyl-N-(1-pyrimidin-4-ylethyl)-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for 2-benzyl-N-methyl-N-(1-pyrimidin-4-ylethyl)-1,3-benzoxazole-5-carboxamide is CC(c1ccncn1)N(C)C(=O)c1ccc2oc(Cc3ccccc3)nc2c1.
What is the InChIKey of 2-benzyl-N-methyl-N-(1-pyrimidin-4-ylethyl)-1,3-benzoxazole-5-carboxamide?
The InChIKey is MBRYCPCETAGMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-15(18-10-11-23-14-24-18)26(2)22(27)17-8-9-20-19(13-17)25-21(28-20)12-16-6-4-3-5-7-16/h3-11,13-15H,12H2,1-2H3.
What are the key properties of 2-benzyl-N-methyl-N-(1-pyrimidin-4-ylethyl)-1,3-benzoxazole-5-carboxamide?
2-benzyl-N-methyl-N-(1-pyrimidin-4-ylethyl)-1,3-benzoxazole-5-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-methyl-N-(1-pyrimidin-4-ylethyl)-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 24793102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).