1-(2-methoxyphenyl)-N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine

C21H31N3O3 — CID 128966955

IUPAC1-(2-methoxyphenyl)-N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine
SMILESCOc1ccccc1CC(C)NC(c1nc(C(C)C)no1)C1CCOCC1
InChIInChI=1S/C21H31N3O3/c1-14(2)20-23-21(27-24-20)19(16-9-11-26-12-10-16)22-15(3)13-17-7-5-6-8-18(17)25-4/h5-8,14-16,19,22H,9-13H2,1-4H3
InChIKeyZIKMXROYNBHQRX-UHFFFAOYSA-N
MW373.50 g/mol
LogP3.89
Rot. Bonds8

About 1-(2-methoxyphenyl)-N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine

1-(2-methoxyphenyl)-N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine (PubChem CID 128966955) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine
PubChem CID128966955
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC Name1-(2-methoxyphenyl)-N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine
SMILESCOc1ccccc1CC(C)NC(c1nc(C(C)C)no1)C1CCOCC1
InChIInChI=1S/C21H31N3O3/c1-14(2)20-23-21(27-24-20)19(16-9-11-26-12-10-16)22-15(3)13-17-7-5-6-8-18(17)25-4/h5-8,14-16,19,22H,9-13H2,1-4H3
InChIKeyZIKMXROYNBHQRX-UHFFFAOYSA-N
XLogP3.89
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-1-(2-methoxyphenyl)-N-[(S)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine
CID 129341816
N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine
CID 129329023
(2S)-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4-pyrazol-1-ylbutan-2-amine
CID 129328850
(2S)-2-[[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-2-phenylacetamide
CID 129472264
N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzoxazol-2-amine
CID 128993450
(2S)-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4-(1,2,4-triazol-1-yl)butan-2-amine
CID 129328947
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]-1-pyridin-2-ylpiperidin-4-amine
CID 129338337
1-cyclobutyl-N-[1-(2-methoxyphenyl)propan-2-yl]propan-2-amine
CID 115710215
N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2-thiophen-2-ylpropanamide
CID 129003546
(1S)-N-[(5-ethylfuran-2-yl)methyl]-1-(oxan-4-yl)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanamine
CID 129331035
3-cyclopropyl-N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-amine
CID 128965578

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine?
The IUPAC name of 1-(2-methoxyphenyl)-N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine (CID 128966955) is 1-(2-methoxyphenyl)-N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine.
What is the SMILES notation for 1-(2-methoxyphenyl)-N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine?
The canonical SMILES for 1-(2-methoxyphenyl)-N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine is COc1ccccc1CC(C)NC(c1nc(C(C)C)no1)C1CCOCC1.
What is the InChIKey of 1-(2-methoxyphenyl)-N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine?
The InChIKey is ZIKMXROYNBHQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-14(2)20-23-21(27-24-20)19(16-9-11-26-12-10-16)22-15(3)13-17-7-5-6-8-18(17)25-4/h5-8,14-16,19,22H,9-13H2,1-4H3.
What are the key properties of 1-(2-methoxyphenyl)-N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine?
1-(2-methoxyphenyl)-N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine has a molecular weight of 373.50 g/mol, XLogP of 3.89, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine is sourced from PubChem (CID 128966955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).