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

C18H18N2O3 — CID 4807520

IUPACN,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1ccc(CN(C)C(=O)c2c(-c3ccccc3)noc2C)o1
InChIInChI=1S/C18H18N2O3/c1-12-9-10-15(22-12)11-20(3)18(21)16-13(2)23-19-17(16)14-7-5-4-6-8-14/h4-10H,11H2,1-3H3
InChIKeyRKJYTOKMYDCYCL-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.82
Rot. Bonds4

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

N,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 4807520) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is N,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID4807520
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC NameN,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1ccc(CN(C)C(=O)c2c(-c3ccccc3)noc2C)o1
InChIInChI=1S/C18H18N2O3/c1-12-9-10-15(22-12)11-20(3)18(21)16-13(2)23-19-17(16)14-7-5-4-6-8-14/h4-10H,11H2,1-3H3
InChIKeyRKJYTOKMYDCYCL-UHFFFAOYSA-N
XLogP3.82
TPSA59.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-chlorophenyl)-N,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1,2-oxazole-4-carboxamide
CID 29221000
N-[[4-(dimethylamino)phenyl]methyl]-N,5-dimethyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 78801211
N-[(4-cyanophenyl)methyl]-N,5-dimethyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 39858071
N,5-dimethyl-3-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide
CID 31619587
5-methyl-3-phenyl-N,N-di(propan-2-yl)-1,2-oxazole-4-carboxamide
CID 4525526
5-methyl-3-phenyl-N,N-bis(prop-2-enyl)-1,2-oxazole-4-carboxamide
CID 807635
N-benzyl-N-(2-hydroxyethyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 78795967
N,N-bis(2-cyanoethyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 2210713
4-(methoxymethyl)-N,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1,2-oxazole-3-carboxamide
CID 56871396
N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(phenylsulfanylmethyl)benzamide
CID 31151066
6-bromo-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide
CID 103875027
N-butyl-5-methyl-N,3-diphenyl-1,2-oxazole-4-carboxamide
CID 17256808

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]-3-phenyl-1,2-oxazole-4-carboxamide (CID 4807520) is N,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]-3-phenyl-1,2-oxazole-4-carboxamide is Cc1ccc(CN(C)C(=O)c2c(-c3ccccc3)noc2C)o1.
What is the InChIKey of N,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is RKJYTOKMYDCYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-12-9-10-15(22-12)11-20(3)18(21)16-13(2)23-19-17(16)14-7-5-4-6-8-14/h4-10H,11H2,1-3H3.
What are the key properties of N,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]-3-phenyl-1,2-oxazole-4-carboxamide?
N,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 310.35 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 4807520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).