(2R)-N,N-dimethyl-4-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide

C23H23N3O4S — CID 97074025

IUPAC(2R)-N,N-dimethyl-4-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
SMILESCc1nc(COc2cccc(C(=O)N3C[C@H](C(=O)N(C)C)Oc4ccccc43)c2)cs1
InChIInChI=1S/C23H23N3O4S/c1-15-24-17(14-31-15)13-29-18-8-6-7-16(11-18)22(27)26-12-21(23(28)25(2)3)30-20-10-5-4-9-19(20)26/h4-11,14,21H,12-13H2,1-3H3/t21-/m1/s1
InChIKeyIFNPKUFZFCZBIT-OAQYLSRUSA-N
MW437.52 g/mol
LogP3.53
Rot. Bonds5

About (2R)-N,N-dimethyl-4-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide

(2R)-N,N-dimethyl-4-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide (PubChem CID 97074025) has the molecular formula C23H23N3O4S and a molecular weight of 437.52 g/mol. Its IUPAC name is (2R)-N,N-dimethyl-4-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N,N-dimethyl-4-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
PubChem CID97074025
Molecular FormulaC23H23N3O4S
Molecular Weight437.52 g/mol
Exact Mass437.14
IUPAC Name(2R)-N,N-dimethyl-4-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
SMILESCc1nc(COc2cccc(C(=O)N3C[C@H](C(=O)N(C)C)Oc4ccccc43)c2)cs1
InChIInChI=1S/C23H23N3O4S/c1-15-24-17(14-31-15)13-29-18-8-6-7-16(11-18)22(27)26-12-21(23(28)25(2)3)30-20-10-5-4-9-19(20)26/h4-11,14,21H,12-13H2,1-3H3/t21-/m1/s1
InChIKeyIFNPKUFZFCZBIT-OAQYLSRUSA-N
XLogP3.53
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]-1,3-dihydroquinoxalin-2-one
CID 27018519
[(2R,5R)-2,5-dimethylmorpholin-4-yl]-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanone
CID 94051440
[4-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanone
CID 95778296
[(3S)-3-aminopiperidin-1-yl]-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanone
CID 124628209
4-[3-[(4-fluorophenyl)methoxy]benzoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 42886373
(4-amino-3,3-dimethylpiperidin-1-yl)-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanone
CID 120814742
5-methyl-1-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]piperidine-3-carboxylic acid
CID 122117926
(3R)-1-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]piperidine-3-carboxylic acid
CID 124574822
N-(1-acetylpiperidin-4-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 46657248
N,N-dimethyl-4-[2-(4-methylphenyl)-1,3-thiazole-4-carbonyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 42897345
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 34764554
N-(4-aminocyclohexyl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide;dihydrochloride
CID 119477541

Frequently Asked Questions

What is the IUPAC name of (2R)-N,N-dimethyl-4-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
The IUPAC name of (2R)-N,N-dimethyl-4-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide (CID 97074025) is (2R)-N,N-dimethyl-4-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide.
What is the SMILES notation for (2R)-N,N-dimethyl-4-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
The canonical SMILES for (2R)-N,N-dimethyl-4-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide is Cc1nc(COc2cccc(C(=O)N3C[C@H](C(=O)N(C)C)Oc4ccccc43)c2)cs1.
What is the InChIKey of (2R)-N,N-dimethyl-4-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
The InChIKey is IFNPKUFZFCZBIT-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H23N3O4S/c1-15-24-17(14-31-15)13-29-18-8-6-7-16(11-18)22(27)26-12-21(23(28)25(2)3)30-20-10-5-4-9-19(20)26/h4-11,14,21H,12-13H2,1-3H3/t21-/m1/s1.
What are the key properties of (2R)-N,N-dimethyl-4-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
(2R)-N,N-dimethyl-4-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide has a molecular weight of 437.52 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N,N-dimethyl-4-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide is sourced from PubChem (CID 97074025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).