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

C18H25N3O5 — CID 91780446

IUPACN-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]-5-propyl-1,2-oxazole-3-carboxamide
SMILESCCCc1cc(C(=O)N[C@@H]2CCOC[C@H]2OCc2c(C)noc2C)no1
InChIInChI=1S/C18H25N3O5/c1-4-5-13-8-16(21-26-13)18(22)19-15-6-7-23-10-17(15)24-9-14-11(2)20-25-12(14)3/h8,15,17H,4-7,9-10H2,1-3H3,(H,19,22)/t15-,17-/m1/s1
InChIKeyUVCMSXVKCKXFEH-NVXWUHKLSA-N
MW363.41 g/mol
LogP2.34
Rot. Bonds7

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

N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]-5-propyl-1,2-oxazole-3-carboxamide (PubChem CID 91780446) has the molecular formula C18H25N3O5 and a molecular weight of 363.41 g/mol. Its IUPAC name is N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]-5-propyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]-5-propyl-1,2-oxazole-3-carboxamide
PubChem CID91780446
Molecular FormulaC18H25N3O5
Molecular Weight363.41 g/mol
Exact Mass363.18
IUPAC NameN-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]-5-propyl-1,2-oxazole-3-carboxamide
SMILESCCCc1cc(C(=O)N[C@@H]2CCOC[C@H]2OCc2c(C)noc2C)no1
InChIInChI=1S/C18H25N3O5/c1-4-5-13-8-16(21-26-13)18(22)19-15-6-7-23-10-17(15)24-9-14-11(2)20-25-12(14)3/h8,15,17H,4-7,9-10H2,1-3H3,(H,19,22)/t15-,17-/m1/s1
InChIKeyUVCMSXVKCKXFEH-NVXWUHKLSA-N
XLogP2.34
TPSA99.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]-5-propyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]-5-propyl-1,2-oxazole-3-carboxamide (CID 91780446) is N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]-5-propyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]-5-propyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]-5-propyl-1,2-oxazole-3-carboxamide is CCCc1cc(C(=O)N[C@@H]2CCOC[C@H]2OCc2c(C)noc2C)no1.
What is the InChIKey of N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]-5-propyl-1,2-oxazole-3-carboxamide?
The InChIKey is UVCMSXVKCKXFEH-NVXWUHKLSA-N. The full InChI is InChI=1S/C18H25N3O5/c1-4-5-13-8-16(21-26-13)18(22)19-15-6-7-23-10-17(15)24-9-14-11(2)20-25-12(14)3/h8,15,17H,4-7,9-10H2,1-3H3,(H,19,22)/t15-,17-/m1/s1.
What are the key properties of N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]-5-propyl-1,2-oxazole-3-carboxamide?
N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]-5-propyl-1,2-oxazole-3-carboxamide has a molecular weight of 363.41 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]-5-propyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 91780446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).