N-[(3R,4S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-3-yl]-5-ethyl-1,2-oxazole-3-carboxamide

C17H23N3O5 — CID 91791986

IUPACN-[(3R,4S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-3-yl]-5-ethyl-1,2-oxazole-3-carboxamide
SMILESCCc1cc(C(=O)N[C@@H]2COCC[C@@H]2OCc2c(C)noc2C)no1
InChIInChI=1S/C17H23N3O5/c1-4-12-7-14(20-25-12)17(21)18-15-9-22-6-5-16(15)23-8-13-10(2)19-24-11(13)3/h7,15-16H,4-6,8-9H2,1-3H3,(H,18,21)/t15-,16+/m1/s1
InChIKeyIEONQBKNERFESF-CVEARBPZSA-N
MW349.39 g/mol
LogP1.95
Rot. Bonds6

About N-[(3R,4S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-3-yl]-5-ethyl-1,2-oxazole-3-carboxamide

N-[(3R,4S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-3-yl]-5-ethyl-1,2-oxazole-3-carboxamide (PubChem CID 91791986) has the molecular formula C17H23N3O5 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-[(3R,4S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-3-yl]-5-ethyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-3-yl]-5-ethyl-1,2-oxazole-3-carboxamide
PubChem CID91791986
Molecular FormulaC17H23N3O5
Molecular Weight349.39 g/mol
Exact Mass349.16
IUPAC NameN-[(3R,4S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-3-yl]-5-ethyl-1,2-oxazole-3-carboxamide
SMILESCCc1cc(C(=O)N[C@@H]2COCC[C@@H]2OCc2c(C)noc2C)no1
InChIInChI=1S/C17H23N3O5/c1-4-12-7-14(20-25-12)17(21)18-15-9-22-6-5-16(15)23-8-13-10(2)19-24-11(13)3/h7,15-16H,4-6,8-9H2,1-3H3,(H,18,21)/t15-,16+/m1/s1
InChIKeyIEONQBKNERFESF-CVEARBPZSA-N
XLogP1.95
TPSA99.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-3-yl]-5-ethyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(3R,4S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-3-yl]-5-ethyl-1,2-oxazole-3-carboxamide (CID 91791986) is N-[(3R,4S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-3-yl]-5-ethyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(3R,4S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-3-yl]-5-ethyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(3R,4S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-3-yl]-5-ethyl-1,2-oxazole-3-carboxamide is CCc1cc(C(=O)N[C@@H]2COCC[C@@H]2OCc2c(C)noc2C)no1.
What is the InChIKey of N-[(3R,4S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-3-yl]-5-ethyl-1,2-oxazole-3-carboxamide?
The InChIKey is IEONQBKNERFESF-CVEARBPZSA-N. The full InChI is InChI=1S/C17H23N3O5/c1-4-12-7-14(20-25-12)17(21)18-15-9-22-6-5-16(15)23-8-13-10(2)19-24-11(13)3/h7,15-16H,4-6,8-9H2,1-3H3,(H,18,21)/t15-,16+/m1/s1.
What are the key properties of N-[(3R,4S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-3-yl]-5-ethyl-1,2-oxazole-3-carboxamide?
N-[(3R,4S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-3-yl]-5-ethyl-1,2-oxazole-3-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-3-yl]-5-ethyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 91791986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).