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

C19H27N3O4 — CID 128965577

IUPAC5-ethyl-4-methyl-N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]furan-2-carboxamide
SMILESCCc1oc(C(=O)NC(c2nc(C(C)C)no2)C2CCOCC2)cc1C
InChIInChI=1S/C19H27N3O4/c1-5-14-12(4)10-15(25-14)18(23)20-16(13-6-8-24-9-7-13)19-21-17(11(2)3)22-26-19/h10-11,13,16H,5-9H2,1-4H3,(H,20,23)
InChIKeyMHRCJFIWQUOPPT-UHFFFAOYSA-N
MW361.44 g/mol
LogP3.55
Rot. Bonds6

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

5-ethyl-4-methyl-N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]furan-2-carboxamide (PubChem CID 128965577) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is 5-ethyl-4-methyl-N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-ethyl-4-methyl-N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]furan-2-carboxamide
PubChem CID128965577
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC Name5-ethyl-4-methyl-N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]furan-2-carboxamide
SMILESCCc1oc(C(=O)NC(c2nc(C(C)C)no2)C2CCOCC2)cc1C
InChIInChI=1S/C19H27N3O4/c1-5-14-12(4)10-15(25-14)18(23)20-16(13-6-8-24-9-7-13)19-21-17(11(2)3)22-26-19/h10-11,13,16H,5-9H2,1-4H3,(H,20,23)
InChIKeyMHRCJFIWQUOPPT-UHFFFAOYSA-N
XLogP3.55
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
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]cyclopentene-1-carboxamide
CID 129326932
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
N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2-oxazole-3-carboxamide
CID 129471841
N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-carboxamide
CID 129471925
N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-5-ethyl-4-methylfuran-2-carboxamide
CID 75437033
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]-1H-pyrazole-5-carboxamide
CID 129473439
1-(dicyclopropylmethyl)-3-[(S)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]urea
CID 129337744
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 5-ethyl-4-methyl-N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]furan-2-carboxamide?
The IUPAC name of 5-ethyl-4-methyl-N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]furan-2-carboxamide (CID 128965577) is 5-ethyl-4-methyl-N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-ethyl-4-methyl-N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-ethyl-4-methyl-N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]furan-2-carboxamide is CCc1oc(C(=O)NC(c2nc(C(C)C)no2)C2CCOCC2)cc1C.
What is the InChIKey of 5-ethyl-4-methyl-N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]furan-2-carboxamide?
The InChIKey is MHRCJFIWQUOPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-5-14-12(4)10-15(25-14)18(23)20-16(13-6-8-24-9-7-13)19-21-17(11(2)3)22-26-19/h10-11,13,16H,5-9H2,1-4H3,(H,20,23).
What are the key properties of 5-ethyl-4-methyl-N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]furan-2-carboxamide?
5-ethyl-4-methyl-N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]furan-2-carboxamide has a molecular weight of 361.44 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-methyl-N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 128965577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).