N-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-4-(2-oxo-1,3-oxazolidin-3-yl)butanamide

C18H21N3O4 — CID 71937437

IUPACN-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-4-(2-oxo-1,3-oxazolidin-3-yl)butanamide
SMILESCc1nc(-c2ccc(NC(=O)CCCN3CCOC3=O)cc2)oc1C
InChIInChI=1S/C18H21N3O4/c1-12-13(2)25-17(19-12)14-5-7-15(8-6-14)20-16(22)4-3-9-21-10-11-24-18(21)23/h5-8H,3-4,9-11H2,1-2H3,(H,20,22)
InChIKeyBIHJSDWYKLMLBQ-UHFFFAOYSA-N
MW343.38 g/mol
LogP3.13
Rot. Bonds6

About N-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-4-(2-oxo-1,3-oxazolidin-3-yl)butanamide

N-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-4-(2-oxo-1,3-oxazolidin-3-yl)butanamide (PubChem CID 71937437) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is N-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-4-(2-oxo-1,3-oxazolidin-3-yl)butanamide.

Molecular Properties

Compound NameN-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-4-(2-oxo-1,3-oxazolidin-3-yl)butanamide
PubChem CID71937437
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC NameN-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-4-(2-oxo-1,3-oxazolidin-3-yl)butanamide
SMILESCc1nc(-c2ccc(NC(=O)CCCN3CCOC3=O)cc2)oc1C
InChIInChI=1S/C18H21N3O4/c1-12-13(2)25-17(19-12)14-5-7-15(8-6-14)20-16(22)4-3-9-21-10-11-24-18(21)23/h5-8H,3-4,9-11H2,1-2H3,(H,20,22)
InChIKeyBIHJSDWYKLMLBQ-UHFFFAOYSA-N
XLogP3.13
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetylphenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide
CID 47378519
N-(4-bromophenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide
CID 47378353
N-(4-bromo-3-methylphenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide
CID 47378611
N-(3-methylphenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide
CID 47377806
4-(2-oxo-1,3-oxazolidin-3-yl)butanehydrazide
CID 61405937
N-(3-acetamidophenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide
CID 110686933
N-(3,4-difluorophenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide
CID 110686968
N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-4-(methylamino)butanamide
CID 119742561
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide
CID 51092008
N-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]pyridine-4-carboxamide
CID 5022157
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-4-(2-oxo-1,3-oxazolidin-3-yl)butanamide
CID 86935770
2-(4-methylphenyl)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]acetamide
CID 110707245

Frequently Asked Questions

What is the IUPAC name of N-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-4-(2-oxo-1,3-oxazolidin-3-yl)butanamide?
The IUPAC name of N-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-4-(2-oxo-1,3-oxazolidin-3-yl)butanamide (CID 71937437) is N-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-4-(2-oxo-1,3-oxazolidin-3-yl)butanamide.
What is the SMILES notation for N-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-4-(2-oxo-1,3-oxazolidin-3-yl)butanamide?
The canonical SMILES for N-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-4-(2-oxo-1,3-oxazolidin-3-yl)butanamide is Cc1nc(-c2ccc(NC(=O)CCCN3CCOC3=O)cc2)oc1C.
What is the InChIKey of N-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-4-(2-oxo-1,3-oxazolidin-3-yl)butanamide?
The InChIKey is BIHJSDWYKLMLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-12-13(2)25-17(19-12)14-5-7-15(8-6-14)20-16(22)4-3-9-21-10-11-24-18(21)23/h5-8H,3-4,9-11H2,1-2H3,(H,20,22).
What are the key properties of N-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-4-(2-oxo-1,3-oxazolidin-3-yl)butanamide?
N-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-4-(2-oxo-1,3-oxazolidin-3-yl)butanamide has a molecular weight of 343.38 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-4-(2-oxo-1,3-oxazolidin-3-yl)butanamide is sourced from PubChem (CID 71937437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).