1-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(4-hydroxy-2-methylpentyl)urea

C15H28N4O3 — CID 111509178

IUPAC1-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(4-hydroxy-2-methylpentyl)urea
SMILESCC(O)CC(C)CNC(=O)NC(C)c1nc(C(C)(C)C)no1
InChIInChI=1S/C15H28N4O3/c1-9(7-10(2)20)8-16-14(21)17-11(3)12-18-13(19-22-12)15(4,5)6/h9-11,20H,7-8H2,1-6H3,(H2,16,17,21)
InChIKeyGQOMUGOMUDNLOA-UHFFFAOYSA-N
MW312.41 g/mol
LogP2.13
Rot. Bonds6

About 1-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(4-hydroxy-2-methylpentyl)urea

1-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(4-hydroxy-2-methylpentyl)urea (PubChem CID 111509178) has the molecular formula C15H28N4O3 and a molecular weight of 312.41 g/mol. Its IUPAC name is 1-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(4-hydroxy-2-methylpentyl)urea.

Molecular Properties

Compound Name1-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(4-hydroxy-2-methylpentyl)urea
PubChem CID111509178
Molecular FormulaC15H28N4O3
Molecular Weight312.41 g/mol
Exact Mass312.22
IUPAC Name1-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(4-hydroxy-2-methylpentyl)urea
SMILESCC(O)CC(C)CNC(=O)NC(C)c1nc(C(C)(C)C)no1
InChIInChI=1S/C15H28N4O3/c1-9(7-10(2)20)8-16-14(21)17-11(3)12-18-13(19-22-12)15(4,5)6/h9-11,20H,7-8H2,1-6H3,(H2,16,17,21)
InChIKeyGQOMUGOMUDNLOA-UHFFFAOYSA-N
XLogP2.13
TPSA100.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(3S)-4-methylpent-1-yn-3-yl]urea
CID 124849754
(2R)-2-amino-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide;hydrochloride
CID 119342865
1-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(1-hydroxypentan-3-yl)urea
CID 111506824
N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-4-methoxypiperidine-4-carboxamide
CID 119817334
(2S)-2-amino-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-4-methylsulfanylbutanamide
CID 119342858
7-amino-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]heptanamide;hydrochloride
CID 119817299
3-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111509179
N-[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136715375
cis-(1R,2S)-2-[[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125119041
cis-(1S,2R)-2-[[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125119043
2-(aminomethyl)-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119817329
1-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
CID 111509151

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(4-hydroxy-2-methylpentyl)urea?
The IUPAC name of 1-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(4-hydroxy-2-methylpentyl)urea (CID 111509178) is 1-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(4-hydroxy-2-methylpentyl)urea.
What is the SMILES notation for 1-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(4-hydroxy-2-methylpentyl)urea?
The canonical SMILES for 1-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(4-hydroxy-2-methylpentyl)urea is CC(O)CC(C)CNC(=O)NC(C)c1nc(C(C)(C)C)no1.
What is the InChIKey of 1-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(4-hydroxy-2-methylpentyl)urea?
The InChIKey is GQOMUGOMUDNLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O3/c1-9(7-10(2)20)8-16-14(21)17-11(3)12-18-13(19-22-12)15(4,5)6/h9-11,20H,7-8H2,1-6H3,(H2,16,17,21).
What are the key properties of 1-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(4-hydroxy-2-methylpentyl)urea?
1-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(4-hydroxy-2-methylpentyl)urea has a molecular weight of 312.41 g/mol, XLogP of 2.13, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(4-hydroxy-2-methylpentyl)urea is sourced from PubChem (CID 111509178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).