4-methyl-N-[(S)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2,5-oxadiazole-3-carboxamide

C15H21N5O4 — CID 129472303

IUPAC4-methyl-N-[(S)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2,5-oxadiazole-3-carboxamide
SMILESCc1nonc1C(=O)N[C@H](c1nc(C(C)C)no1)C1CCOCC1
InChIInChI=1S/C15H21N5O4/c1-8(2)13-17-15(23-20-13)12(10-4-6-22-7-5-10)16-14(21)11-9(3)18-24-19-11/h8,10,12H,4-7H2,1-3H3,(H,16,21)/t12-/m0/s1
InChIKeyNESGHBORMQBSPJ-LBPRGKRZSA-N
MW335.36 g/mol
LogP1.78
Rot. Bonds5

About 4-methyl-N-[(S)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2,5-oxadiazole-3-carboxamide

4-methyl-N-[(S)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2,5-oxadiazole-3-carboxamide (PubChem CID 129472303) has the molecular formula C15H21N5O4 and a molecular weight of 335.36 g/mol. Its IUPAC name is 4-methyl-N-[(S)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[(S)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2,5-oxadiazole-3-carboxamide
PubChem CID129472303
Molecular FormulaC15H21N5O4
Molecular Weight335.36 g/mol
Exact Mass335.16
IUPAC Name4-methyl-N-[(S)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2,5-oxadiazole-3-carboxamide
SMILESCc1nonc1C(=O)N[C@H](c1nc(C(C)C)no1)C1CCOCC1
InChIInChI=1S/C15H21N5O4/c1-8(2)13-17-15(23-20-13)12(10-4-6-22-7-5-10)16-14(21)11-9(3)18-24-19-11/h8,10,12H,4-7H2,1-3H3,(H,16,21)/t12-/m0/s1
InChIKeyNESGHBORMQBSPJ-LBPRGKRZSA-N
XLogP1.78
TPSA116.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-methyl-N-[(S)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2,5-oxadiazole-3-carboxamide with MolForge

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Related Compounds

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-[(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
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]cyclopentene-1-carboxamide
CID 129326932
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
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-hydroxy-N-[(S)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopentane-1-carboxamide
CID 129326237
(2R)-2-methylsulfanyl-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide
CID 129351417

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(S)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 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) is 4-methyl-N-[(S)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-methyl-N-[(S)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-methyl-N-[(S)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2,5-oxadiazole-3-carboxamide is Cc1nonc1C(=O)N[C@H](c1nc(C(C)C)no1)C1CCOCC1.
What is the InChIKey of 4-methyl-N-[(S)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is NESGHBORMQBSPJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H21N5O4/c1-8(2)13-17-15(23-20-13)12(10-4-6-22-7-5-10)16-14(21)11-9(3)18-24-19-11/h8,10,12H,4-7H2,1-3H3,(H,16,21)/t12-/m0/s1.
What are the key properties of 4-methyl-N-[(S)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2,5-oxadiazole-3-carboxamide?
4-methyl-N-[(S)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 335.36 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(S)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 129472303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).