N-[(2R)-butan-2-yl]-N-[2-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methylbutanamide

C21H31N3O4 — CID 98372425

IUPACN-[(2R)-butan-2-yl]-N-[2-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methylbutanamide
SMILESCC[C@@H](C)N(CCc1nc(-c2cc(OC)cc(OC)c2)no1)C(=O)CC(C)C
InChIInChI=1S/C21H31N3O4/c1-7-15(4)24(20(25)10-14(2)3)9-8-19-22-21(23-28-19)16-11-17(26-5)13-18(12-16)27-6/h11-15H,7-10H2,1-6H3/t15-/m1/s1
InChIKeyHWSCSLAVVONCRX-OAHLLOKOSA-N
MW389.50 g/mol
LogP3.97
Rot. Bonds10

About N-[(2R)-butan-2-yl]-N-[2-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methylbutanamide

N-[(2R)-butan-2-yl]-N-[2-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methylbutanamide (PubChem CID 98372425) has the molecular formula C21H31N3O4 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-N-[2-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-N-[2-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methylbutanamide
PubChem CID98372425
Molecular FormulaC21H31N3O4
Molecular Weight389.50 g/mol
Exact Mass389.23
IUPAC NameN-[(2R)-butan-2-yl]-N-[2-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methylbutanamide
SMILESCC[C@@H](C)N(CCc1nc(-c2cc(OC)cc(OC)c2)no1)C(=O)CC(C)C
InChIInChI=1S/C21H31N3O4/c1-7-15(4)24(20(25)10-14(2)3)9-8-19-22-21(23-28-19)16-11-17(26-5)13-18(12-16)27-6/h11-15H,7-10H2,1-6H3/t15-/m1/s1
InChIKeyHWSCSLAVVONCRX-OAHLLOKOSA-N
XLogP3.97
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-butan-2-yl-N-[2-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-nitrobenzamide
CID 83281470
N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methyl-N-(1-phenylethyl)butanamide
CID 83280002
N-butan-2-yl-N-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 83284747
N-butan-2-yl-N-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(trifluoromethyl)benzamide
CID 83284745
1-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 103399766
N-butan-2-yl-N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,3-dimethylbutanamide
CID 83281491
3-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 82358645
5-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 103399467
N-butan-2-yl-N-[2-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-phenylpropanamide
CID 83281472
2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N,N-dipropylacetamide
CID 110416420
N-[2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]-N-butan-2-yl-3-phenylpropanamide
CID 83281479
N-butan-2-yl-4-methyl-N-[2-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 83288442

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-N-[2-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methylbutanamide?
The IUPAC name of N-[(2R)-butan-2-yl]-N-[2-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methylbutanamide (CID 98372425) is N-[(2R)-butan-2-yl]-N-[2-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methylbutanamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-N-[2-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methylbutanamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-N-[2-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methylbutanamide is CC[C@@H](C)N(CCc1nc(-c2cc(OC)cc(OC)c2)no1)C(=O)CC(C)C.
What is the InChIKey of N-[(2R)-butan-2-yl]-N-[2-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methylbutanamide?
The InChIKey is HWSCSLAVVONCRX-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H31N3O4/c1-7-15(4)24(20(25)10-14(2)3)9-8-19-22-21(23-28-19)16-11-17(26-5)13-18(12-16)27-6/h11-15H,7-10H2,1-6H3/t15-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-N-[2-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methylbutanamide?
N-[(2R)-butan-2-yl]-N-[2-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methylbutanamide has a molecular weight of 389.50 g/mol, XLogP of 3.97, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-N-[2-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methylbutanamide is sourced from PubChem (CID 98372425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).