4-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-(1H-pyrazol-4-yl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one

C16H15N5O2S — CID 134810761

IUPAC4-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-(1H-pyrazol-4-yl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one
SMILESCc1nc(CN2Cc3nc(-c4cn[nH]c4)ccc3OCC2=O)cs1
InChIInChI=1S/C16H15N5O2S/c1-10-19-12(9-24-10)6-21-7-14-15(23-8-16(21)22)3-2-13(20-14)11-4-17-18-5-11/h2-5,9H,6-8H2,1H3,(H,17,18)
InChIKeyAVUXRTHWCQYMAI-UHFFFAOYSA-N
MW341.40 g/mol
LogP2.16
Rot. Bonds3

About 4-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-(1H-pyrazol-4-yl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one

4-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-(1H-pyrazol-4-yl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one (PubChem CID 134810761) has the molecular formula C16H15N5O2S and a molecular weight of 341.40 g/mol. Its IUPAC name is 4-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-(1H-pyrazol-4-yl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one.

Molecular Properties

Compound Name4-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-(1H-pyrazol-4-yl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one
PubChem CID134810761
Molecular FormulaC16H15N5O2S
Molecular Weight341.40 g/mol
Exact Mass341.09
IUPAC Name4-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-(1H-pyrazol-4-yl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one
SMILESCc1nc(CN2Cc3nc(-c4cn[nH]c4)ccc3OCC2=O)cs1
InChIInChI=1S/C16H15N5O2S/c1-10-19-12(9-24-10)6-21-7-14-15(23-8-16(21)22)3-2-13(20-14)11-4-17-18-5-11/h2-5,9H,6-8H2,1H3,(H,17,18)
InChIKeyAVUXRTHWCQYMAI-UHFFFAOYSA-N
XLogP2.16
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.40
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-phenyl-5H-pyrido[2,3-f][1,4]oxazepin-3-one
CID 134810645
7-(3-fluoro-4-methoxyphenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one
CID 134806905
4-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-[4-(trifluoromethyl)anilino]-5H-pyrido[2,3-f][1,4]oxazepin-3-one
CID 134805562
3-[4-[(4-fluorophenyl)methyl]-3-oxo-5H-pyrido[2,3-f][1,4]oxazepin-7-yl]benzamide
CID 134808627
7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[[4-(trifluoromethyl)phenyl]methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one
CID 134808943
3-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4-dione
CID 103601183
3-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-2,5-dione
CID 64966457
4-[(2-methylphenyl)methyl]-7-(pyridin-3-ylmethoxy)-5H-pyrido[2,3-f][1,4]oxazepin-3-one
CID 134808607
4-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-propanoyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97471461
4-[2-(4-methylphenoxy)ethyl]-6-(2-methyl-1,3-thiazol-4-yl)-1,4-benzoxazin-3-one
CID 28696013
(4R)-4-(2-methylpropyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-one
CID 97273176
4-[(2R)-2,3-dihydroxypropyl]-6-(2-methyl-1,3-thiazol-4-yl)-1,4-benzoxazin-3-one
CID 28696030

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-(1H-pyrazol-4-yl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one?
The IUPAC name of 4-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-(1H-pyrazol-4-yl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one (CID 134810761) is 4-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-(1H-pyrazol-4-yl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one.
What is the SMILES notation for 4-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-(1H-pyrazol-4-yl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one?
The canonical SMILES for 4-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-(1H-pyrazol-4-yl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one is Cc1nc(CN2Cc3nc(-c4cn[nH]c4)ccc3OCC2=O)cs1.
What is the InChIKey of 4-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-(1H-pyrazol-4-yl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one?
The InChIKey is AVUXRTHWCQYMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2S/c1-10-19-12(9-24-10)6-21-7-14-15(23-8-16(21)22)3-2-13(20-14)11-4-17-18-5-11/h2-5,9H,6-8H2,1H3,(H,17,18).
What are the key properties of 4-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-(1H-pyrazol-4-yl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one?
4-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-(1H-pyrazol-4-yl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one has a molecular weight of 341.40 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-(1H-pyrazol-4-yl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one is sourced from PubChem (CID 134810761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).