3-tert-butyl-5-methyl-N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1,2-oxazole-4-carboxamide

C18H21N3O4 — CID 110613763

IUPAC3-tert-butyl-5-methyl-N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1,2-oxazole-4-carboxamide
SMILESCc1onc(C(C)(C)C)c1C(=O)Nc1ccc(N2CCOC2=O)cc1
InChIInChI=1S/C18H21N3O4/c1-11-14(15(20-25-11)18(2,3)4)16(22)19-12-5-7-13(8-6-12)21-9-10-24-17(21)23/h5-8H,9-10H2,1-4H3,(H,19,22)
InChIKeyBNKRCXLBRRHNMS-UHFFFAOYSA-N
MW343.38 g/mol
LogP3.49
Rot. Bonds3

About 3-tert-butyl-5-methyl-N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1,2-oxazole-4-carboxamide

3-tert-butyl-5-methyl-N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1,2-oxazole-4-carboxamide (PubChem CID 110613763) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is 3-tert-butyl-5-methyl-N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-tert-butyl-5-methyl-N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1,2-oxazole-4-carboxamide
PubChem CID110613763
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name3-tert-butyl-5-methyl-N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1,2-oxazole-4-carboxamide
SMILESCc1onc(C(C)(C)C)c1C(=O)Nc1ccc(N2CCOC2=O)cc1
InChIInChI=1S/C18H21N3O4/c1-11-14(15(20-25-11)18(2,3)4)16(22)19-12-5-7-13(8-6-12)21-9-10-24-17(21)23/h5-8H,9-10H2,1-4H3,(H,19,22)
InChIKeyBNKRCXLBRRHNMS-UHFFFAOYSA-N
XLogP3.49
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-tert-butyl-5-methyl-N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1,2-oxazole-4-carboxamide 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

3-tert-butyl-5-methyl-N-[4-(3-oxomorpholin-4-yl)phenyl]-1,2-oxazole-4-carboxamide
CID 110611034
3-tert-butyl-N-[4-(dimethylamino)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 110424690
3-tert-butyl-5-methyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1,2-oxazole-4-carboxamide
CID 110609669
3-tert-butyl-N-[4-(diethylamino)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 110424770
3,4-dimethyl-N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]benzamide
CID 110363407
3-tert-butyl-5-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-1,2-oxazole-4-carboxamide
CID 110608030
2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrrole-3-carboxamide
CID 86822218
N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrazine-2-carboxamide
CID 110668697
3-tert-butyl-5-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
CID 110423356
N-(4-cyclopropylphenyl)-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide
CID 123386905
N-[4-(difluoromethoxy)phenyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide
CID 46460027
3-tert-butyl-N-(3-chloro-4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 110421424

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-methyl-N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-tert-butyl-5-methyl-N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1,2-oxazole-4-carboxamide (CID 110613763) is 3-tert-butyl-5-methyl-N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-tert-butyl-5-methyl-N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-tert-butyl-5-methyl-N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1,2-oxazole-4-carboxamide is Cc1onc(C(C)(C)C)c1C(=O)Nc1ccc(N2CCOC2=O)cc1.
What is the InChIKey of 3-tert-butyl-5-methyl-N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1,2-oxazole-4-carboxamide?
The InChIKey is BNKRCXLBRRHNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-11-14(15(20-25-11)18(2,3)4)16(22)19-12-5-7-13(8-6-12)21-9-10-24-17(21)23/h5-8H,9-10H2,1-4H3,(H,19,22).
What are the key properties of 3-tert-butyl-5-methyl-N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1,2-oxazole-4-carboxamide?
3-tert-butyl-5-methyl-N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1,2-oxazole-4-carboxamide has a molecular weight of 343.38 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-methyl-N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 110613763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).