2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(5S)-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]benzamide

C23H24N2O4 — CID 99793286

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(5S)-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]benzamide
SMILESCc1noc(C)c1COc1ccccc1C(=O)N[C@H]1CCCOc2ccccc21
InChIInChI=1S/C23H24N2O4/c1-15-19(16(2)29-25-15)14-28-22-12-6-4-9-18(22)23(26)24-20-10-7-13-27-21-11-5-3-8-17(20)21/h3-6,8-9,11-12,20H,7,10,13-14H2,1-2H3,(H,24,26)/t20-/m0/s1
InChIKeyNLZCKYOAYUCHRA-FQEVSTJZSA-N
MW392.46 g/mol
LogP4.51
Rot. Bonds5

About 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(5S)-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]benzamide

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(5S)-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]benzamide (PubChem CID 99793286) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(5S)-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]benzamide.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(5S)-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]benzamide
PubChem CID99793286
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(5S)-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]benzamide
SMILESCc1noc(C)c1COc1ccccc1C(=O)N[C@H]1CCCOc2ccccc21
InChIInChI=1S/C23H24N2O4/c1-15-19(16(2)29-25-15)14-28-22-12-6-4-9-18(22)23(26)24-20-10-7-13-27-21-11-5-3-8-17(20)21/h3-6,8-9,11-12,20H,7,10,13-14H2,1-2H3,(H,24,26)/t20-/m0/s1
InChIKeyNLZCKYOAYUCHRA-FQEVSTJZSA-N
XLogP4.51
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]benzamide
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CID 55527623
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CID 35828889
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[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-piperidin-1-ylmethanone
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[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 7654783
N'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-3,4,5-trimethoxybenzohydrazide
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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(5S)-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]benzamide?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(5S)-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]benzamide (CID 99793286) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(5S)-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]benzamide.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(5S)-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]benzamide?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(5S)-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]benzamide is Cc1noc(C)c1COc1ccccc1C(=O)N[C@H]1CCCOc2ccccc21.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(5S)-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]benzamide?
The InChIKey is NLZCKYOAYUCHRA-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-15-19(16(2)29-25-15)14-28-22-12-6-4-9-18(22)23(26)24-20-10-7-13-27-21-11-5-3-8-17(20)21/h3-6,8-9,11-12,20H,7,10,13-14H2,1-2H3,(H,24,26)/t20-/m0/s1.
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(5S)-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]benzamide?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(5S)-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]benzamide has a molecular weight of 392.46 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(5S)-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]benzamide is sourced from PubChem (CID 99793286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).