N-[[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide

C17H23N3O4S — CID 8841592

IUPACN-[[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
SMILESCCN1C[C@H](CN(C)S(=O)(=O)c2c(C)noc2C)Oc2ccccc21
InChIInChI=1S/C17H23N3O4S/c1-5-20-11-14(23-16-9-7-6-8-15(16)20)10-19(4)25(21,22)17-12(2)18-24-13(17)3/h6-9,14H,5,10-11H2,1-4H3/t14-/m0/s1
InChIKeyMUGYVIKDHJIPEP-AWEZNQCLSA-N
MW365.46 g/mol
LogP2.20
Rot. Bonds5

About N-[[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide

N-[[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 8841592) has the molecular formula C17H23N3O4S and a molecular weight of 365.46 g/mol. Its IUPAC name is N-[[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
PubChem CID8841592
Molecular FormulaC17H23N3O4S
Molecular Weight365.46 g/mol
Exact Mass365.14
IUPAC NameN-[[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
SMILESCCN1C[C@H](CN(C)S(=O)(=O)c2c(C)noc2C)Oc2ccccc21
InChIInChI=1S/C17H23N3O4S/c1-5-20-11-14(23-16-9-7-6-8-15(16)20)10-19(4)25(21,22)17-12(2)18-24-13(17)3/h6-9,14H,5,10-11H2,1-4H3/t14-/m0/s1
InChIKeyMUGYVIKDHJIPEP-AWEZNQCLSA-N
XLogP2.20
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]-N-methylacetamide
CID 47011864
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-N-methylacetamide
CID 94797770
N-[[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-2-methoxy-N,5-dimethylbenzenesulfonamide
CID 8841604
N-[[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 95280449
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[[(2S)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-N-methylbenzamide
CID 41042430
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 6931804
2-[[(2S)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl-methylamino]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 51645334
2-(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)ethanamine
CID 82112897
N-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]-N-methyl-3-methylsulfonylbenzamide
CID 51239164
N-[[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-N-methyl-3-methylsulfonylbenzamide
CID 52517187
N-[(2,6-dichloro-4-pyridinyl)methyl]-1-[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]-N-methylmethanamine
CID 52536708
N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 34142954

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide (CID 8841592) is N-[[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide is CCN1C[C@H](CN(C)S(=O)(=O)c2c(C)noc2C)Oc2ccccc21.
What is the InChIKey of N-[[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is MUGYVIKDHJIPEP-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H23N3O4S/c1-5-20-11-14(23-16-9-7-6-8-15(16)20)10-19(4)25(21,22)17-12(2)18-24-13(17)3/h6-9,14H,5,10-11H2,1-4H3/t14-/m0/s1.
What are the key properties of N-[[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide?
N-[[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 365.46 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 8841592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).