1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(1R)-1-(3-propan-2-yloxyphenyl)ethyl]urea

C17H24N4O3 — CID 95325838

IUPAC1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(1R)-1-(3-propan-2-yloxyphenyl)ethyl]urea
SMILESCc1noc(CCNC(=O)N[C@H](C)c2cccc(OC(C)C)c2)n1
InChIInChI=1S/C17H24N4O3/c1-11(2)23-15-7-5-6-14(10-15)12(3)19-17(22)18-9-8-16-20-13(4)21-24-16/h5-7,10-12H,8-9H2,1-4H3,(H2,18,19,22)/t12-/m1/s1
InChIKeyBFZIZNDKDUHBCJ-GFCCVEGCSA-N
MW332.40 g/mol
LogP2.77
Rot. Bonds7

About 1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(1R)-1-(3-propan-2-yloxyphenyl)ethyl]urea

1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(1R)-1-(3-propan-2-yloxyphenyl)ethyl]urea (PubChem CID 95325838) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(1R)-1-(3-propan-2-yloxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(1R)-1-(3-propan-2-yloxyphenyl)ethyl]urea
PubChem CID95325838
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(1R)-1-(3-propan-2-yloxyphenyl)ethyl]urea
SMILESCc1noc(CCNC(=O)N[C@H](C)c2cccc(OC(C)C)c2)n1
InChIInChI=1S/C17H24N4O3/c1-11(2)23-15-7-5-6-14(10-15)12(3)19-17(22)18-9-8-16-20-13(4)21-24-16/h5-7,10-12H,8-9H2,1-4H3,(H2,18,19,22)/t12-/m1/s1
InChIKeyBFZIZNDKDUHBCJ-GFCCVEGCSA-N
XLogP2.77
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1S)-1-(3,4-difluorophenyl)ethyl]-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 95567521
1-[1-(4-ethylphenyl)ethyl]-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 56822950
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
CID 87001177
1-[3-(1-hydroxyethyl)phenyl]-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 106422671
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(4-propan-2-yloxyphenyl)ethanamine
CID 103901506
1-[3-(difluoromethoxy)phenyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 61014859
1-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-(2-hydroxyethyl)urea
CID 110894255
1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(3-propan-2-yloxyphenyl)ethyl]urea
CID 110893573
1-(4-methyl-1,3-thiazol-2-yl)-3-[1-(3-propan-2-yloxyphenyl)ethyl]urea
CID 86989123
N-[2-[[(1R)-1-(3-methoxyphenyl)ethyl]carbamoylamino]ethyl]-2-methylpropanamide
CID 119064075
3-(propan-2-ylamino)-N-[1-(3-propan-2-yloxyphenyl)ethyl]propanamide
CID 60852899
1-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[1-(3-propan-2-yloxyphenyl)ethyl]urea
CID 86994180

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(1R)-1-(3-propan-2-yloxyphenyl)ethyl]urea?
The IUPAC name of 1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(1R)-1-(3-propan-2-yloxyphenyl)ethyl]urea (CID 95325838) is 1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(1R)-1-(3-propan-2-yloxyphenyl)ethyl]urea.
What is the SMILES notation for 1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(1R)-1-(3-propan-2-yloxyphenyl)ethyl]urea?
The canonical SMILES for 1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(1R)-1-(3-propan-2-yloxyphenyl)ethyl]urea is Cc1noc(CCNC(=O)N[C@H](C)c2cccc(OC(C)C)c2)n1.
What is the InChIKey of 1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(1R)-1-(3-propan-2-yloxyphenyl)ethyl]urea?
The InChIKey is BFZIZNDKDUHBCJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-11(2)23-15-7-5-6-14(10-15)12(3)19-17(22)18-9-8-16-20-13(4)21-24-16/h5-7,10-12H,8-9H2,1-4H3,(H2,18,19,22)/t12-/m1/s1.
What are the key properties of 1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(1R)-1-(3-propan-2-yloxyphenyl)ethyl]urea?
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(1R)-1-(3-propan-2-yloxyphenyl)ethyl]urea has a molecular weight of 332.40 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(1R)-1-(3-propan-2-yloxyphenyl)ethyl]urea is sourced from PubChem (CID 95325838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).