(2-ethyl-4-methyl-1,3-oxazol-5-yl)-(6-hydroxy-1,4-oxazepan-4-yl)methanone

C12H18N2O4 — CID 70761935

IUPAC(2-ethyl-4-methyl-1,3-oxazol-5-yl)-(6-hydroxy-1,4-oxazepan-4-yl)methanone
SMILESCCc1nc(C)c(C(=O)N2CCOCC(O)C2)o1
InChIInChI=1S/C12H18N2O4/c1-3-10-13-8(2)11(18-10)12(16)14-4-5-17-7-9(15)6-14/h9,15H,3-7H2,1-2H3
InChIKeyVKGLQAJHUHLTJZ-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.38
Rot. Bonds2

About (2-ethyl-4-methyl-1,3-oxazol-5-yl)-(6-hydroxy-1,4-oxazepan-4-yl)methanone

(2-ethyl-4-methyl-1,3-oxazol-5-yl)-(6-hydroxy-1,4-oxazepan-4-yl)methanone (PubChem CID 70761935) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is (2-ethyl-4-methyl-1,3-oxazol-5-yl)-(6-hydroxy-1,4-oxazepan-4-yl)methanone.

Molecular Properties

Compound Name(2-ethyl-4-methyl-1,3-oxazol-5-yl)-(6-hydroxy-1,4-oxazepan-4-yl)methanone
PubChem CID70761935
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name(2-ethyl-4-methyl-1,3-oxazol-5-yl)-(6-hydroxy-1,4-oxazepan-4-yl)methanone
SMILESCCc1nc(C)c(C(=O)N2CCOCC(O)C2)o1
InChIInChI=1S/C12H18N2O4/c1-3-10-13-8(2)11(18-10)12(16)14-4-5-17-7-9(15)6-14/h9,15H,3-7H2,1-2H3
InChIKeyVKGLQAJHUHLTJZ-UHFFFAOYSA-N
XLogP0.38
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2,4-Dimethyl-1,3-oxazol-5-yl)-(4-propyl-1,4-diazepan-1-yl)methanone
CID 71926645
(2,4-Dimethyl-1,3-oxazol-5-yl)-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]methanone
CID 75423546
1-[4-(2,4-Dimethyl-1,3-oxazole-5-carbonyl)-1,4-diazepan-1-yl]butan-1-one
CID 75423554
(3S)-1-[(2,4-dimethyl-1,3-oxazol-5-yl)carbonyl]-N,N-dimethylazepan-3-amine
CID 70774249
tert-butyl N-[2-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)-methylamino]ethyl]-N-methylcarbamate
CID 75438797
2-ethyl-4-methyl-N-[(2S)-2-propoxypropyl]-1,3-oxazole-5-carboxamide
CID 97922796
N-[2-(azepan-1-yl)-2-oxoethyl]-2,4-dimethyl-N-propan-2-yl-1,3-oxazole-5-carboxamide
CID 126800338
(2-Cyclopropyl-4-methyl-1,3-oxazol-5-yl)-(3-methoxyazetidin-1-yl)methanone
CID 127859230
2-[(2,4-Dimethyl-1,3-oxazole-5-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 81621251
N-(3,3-difluoro-2-hydroxypropyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 103769703
N-(2,2-difluoro-3-hydroxypropyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 104862788
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 107482889

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-4-methyl-1,3-oxazol-5-yl)-(6-hydroxy-1,4-oxazepan-4-yl)methanone?
The IUPAC name of (2-ethyl-4-methyl-1,3-oxazol-5-yl)-(6-hydroxy-1,4-oxazepan-4-yl)methanone (CID 70761935) is (2-ethyl-4-methyl-1,3-oxazol-5-yl)-(6-hydroxy-1,4-oxazepan-4-yl)methanone.
What is the SMILES notation for (2-ethyl-4-methyl-1,3-oxazol-5-yl)-(6-hydroxy-1,4-oxazepan-4-yl)methanone?
The canonical SMILES for (2-ethyl-4-methyl-1,3-oxazol-5-yl)-(6-hydroxy-1,4-oxazepan-4-yl)methanone is CCc1nc(C)c(C(=O)N2CCOCC(O)C2)o1.
What is the InChIKey of (2-ethyl-4-methyl-1,3-oxazol-5-yl)-(6-hydroxy-1,4-oxazepan-4-yl)methanone?
The InChIKey is VKGLQAJHUHLTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-3-10-13-8(2)11(18-10)12(16)14-4-5-17-7-9(15)6-14/h9,15H,3-7H2,1-2H3.
What are the key properties of (2-ethyl-4-methyl-1,3-oxazol-5-yl)-(6-hydroxy-1,4-oxazepan-4-yl)methanone?
(2-ethyl-4-methyl-1,3-oxazol-5-yl)-(6-hydroxy-1,4-oxazepan-4-yl)methanone has a molecular weight of 254.29 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-4-methyl-1,3-oxazol-5-yl)-(6-hydroxy-1,4-oxazepan-4-yl)methanone is sourced from PubChem (CID 70761935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).