N-[(2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide

C18H21N3O6S — CID 132766229

IUPACN-[(2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide
SMILESCCC1Oc2ccc(S(=O)(=O)NC(=O)c3cc(CC(C)C)no3)cc2NC1=O
InChIInChI=1S/C18H21N3O6S/c1-4-14-17(22)19-13-9-12(5-6-15(13)26-14)28(24,25)21-18(23)16-8-11(20-27-16)7-10(2)3/h5-6,8-10,14H,4,7H2,1-3H3,(H,19,22)(H,21,23)
InChIKeyHIPKZLFNNUIDAJ-UHFFFAOYSA-N
MW407.45 g/mol
LogP2.10
Rot. Bonds6

About N-[(2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide

N-[(2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide (PubChem CID 132766229) has the molecular formula C18H21N3O6S and a molecular weight of 407.45 g/mol. Its IUPAC name is N-[(2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide
PubChem CID132766229
Molecular FormulaC18H21N3O6S
Molecular Weight407.45 g/mol
Exact Mass407.12
IUPAC NameN-[(2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide
SMILESCCC1Oc2ccc(S(=O)(=O)NC(=O)c3cc(CC(C)C)no3)cc2NC1=O
InChIInChI=1S/C18H21N3O6S/c1-4-14-17(22)19-13-9-12(5-6-15(13)26-14)28(24,25)21-18(23)16-8-11(20-27-16)7-10(2)3/h5-6,8-10,14H,4,7H2,1-3H3,(H,19,22)(H,21,23)
InChIKeyHIPKZLFNNUIDAJ-UHFFFAOYSA-N
XLogP2.10
TPSA127.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]-3-(2-methylpropyl)-1,2-oxazole-5-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

CID 3245908
CID 3245908
CID 24979178
CID 24979178
CID 24980292
CID 24980292
CID 16196755
CID 16196755
CID 24980595
CID 24980595
CID 24982616
CID 24982616
CID 24978951
CID 24978951
CID 24979834
CID 24979834
CID 24981221
CID 24981221
CID 24981225
CID 24981225
CID 33638466
CID 33638466
CID 52232727
CID 52232727

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[(2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide (CID 132766229) is N-[(2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[(2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[(2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide is CCC1Oc2ccc(S(=O)(=O)NC(=O)c3cc(CC(C)C)no3)cc2NC1=O.
What is the InChIKey of N-[(2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide?
The InChIKey is HIPKZLFNNUIDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O6S/c1-4-14-17(22)19-13-9-12(5-6-15(13)26-14)28(24,25)21-18(23)16-8-11(20-27-16)7-10(2)3/h5-6,8-10,14H,4,7H2,1-3H3,(H,19,22)(H,21,23).
What are the key properties of N-[(2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide?
N-[(2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide has a molecular weight of 407.45 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 132766229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).