3-methoxy-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2-oxazole-5-carboxamide

C16H22N4O5 — CID 129326912

IUPAC3-methoxy-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2-oxazole-5-carboxamide
SMILESCOc1cc(C(=O)N[C@@H](c2nc(C(C)C)no2)C2CCOCC2)on1
InChIInChI=1S/C16H22N4O5/c1-9(2)14-18-16(25-20-14)13(10-4-6-23-7-5-10)17-15(21)11-8-12(22-3)19-24-11/h8-10,13H,4-7H2,1-3H3,(H,17,21)/t13-/m1/s1
InChIKeyOJRUTCHSACWXBL-CYBMUJFWSA-N
MW350.38 g/mol
LogP2.09
Rot. Bonds6

About 3-methoxy-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2-oxazole-5-carboxamide

3-methoxy-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2-oxazole-5-carboxamide (PubChem CID 129326912) has the molecular formula C16H22N4O5 and a molecular weight of 350.38 g/mol. Its IUPAC name is 3-methoxy-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-methoxy-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2-oxazole-5-carboxamide
PubChem CID129326912
Molecular FormulaC16H22N4O5
Molecular Weight350.38 g/mol
Exact Mass350.16
IUPAC Name3-methoxy-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2-oxazole-5-carboxamide
SMILESCOc1cc(C(=O)N[C@@H](c2nc(C(C)C)no2)C2CCOCC2)on1
InChIInChI=1S/C16H22N4O5/c1-9(2)14-18-16(25-20-14)13(10-4-6-23-7-5-10)17-15(21)11-8-12(22-3)19-24-11/h8-10,13H,4-7H2,1-3H3,(H,17,21)/t13-/m1/s1
InChIKeyOJRUTCHSACWXBL-CYBMUJFWSA-N
XLogP2.09
TPSA112.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopentene-1-carboxamide
CID 129326932
5-ethyl-4-methyl-N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]furan-2-carboxamide
CID 128965577
1-(dicyclopropylmethyl)-3-[(S)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]urea
CID 129337744
N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2-oxazole-3-carboxamide
CID 129471841
3,5-dimethyl-N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrrole-2-carboxamide
CID 128973953
3,5-dimethyl-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrrole-2-carboxamide
CID 129326497
N-[(S)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-5-carboxamide
CID 129473440
N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-carboxamide
CID 129471925
N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-5-carboxamide
CID 129473439
4-methyl-N-[(S)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2,5-oxadiazole-3-carboxamide
CID 129472303
(2R)-2-methylsulfanyl-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide
CID 129351417
2-(6-methyl-3-pyridinyl)-N-[(S)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 129473159

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-methoxy-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2-oxazole-5-carboxamide (CID 129326912) is 3-methoxy-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-methoxy-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-methoxy-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2-oxazole-5-carboxamide is COc1cc(C(=O)N[C@@H](c2nc(C(C)C)no2)C2CCOCC2)on1.
What is the InChIKey of 3-methoxy-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2-oxazole-5-carboxamide?
The InChIKey is OJRUTCHSACWXBL-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H22N4O5/c1-9(2)14-18-16(25-20-14)13(10-4-6-23-7-5-10)17-15(21)11-8-12(22-3)19-24-11/h8-10,13H,4-7H2,1-3H3,(H,17,21)/t13-/m1/s1.
What are the key properties of 3-methoxy-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2-oxazole-5-carboxamide?
3-methoxy-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2-oxazole-5-carboxamide has a molecular weight of 350.38 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 129326912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).