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

C14H26N4O3 — CID 111506824

IUPAC1-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(1-hydroxypentan-3-yl)urea
SMILESCCC(CCO)NC(=O)NC(C)c1nc(C(C)(C)C)no1
InChIInChI=1S/C14H26N4O3/c1-6-10(7-8-19)16-13(20)15-9(2)11-17-12(18-21-11)14(3,4)5/h9-10,19H,6-8H2,1-5H3,(H2,15,16,20)
InChIKeyFQYRRXXXEJKUKR-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.89
Rot. Bonds6

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

1-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(1-hydroxypentan-3-yl)urea (PubChem CID 111506824) has the molecular formula C14H26N4O3 and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(1-hydroxypentan-3-yl)urea.

Molecular Properties

Compound Name1-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(1-hydroxypentan-3-yl)urea
PubChem CID111506824
Molecular FormulaC14H26N4O3
Molecular Weight298.39 g/mol
Exact Mass298.20
IUPAC Name1-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(1-hydroxypentan-3-yl)urea
SMILESCCC(CCO)NC(=O)NC(C)c1nc(C(C)(C)C)no1
InChIInChI=1S/C14H26N4O3/c1-6-10(7-8-19)16-13(20)15-9(2)11-17-12(18-21-11)14(3,4)5/h9-10,19H,6-8H2,1-5H3,(H2,15,16,20)
InChIKeyFQYRRXXXEJKUKR-UHFFFAOYSA-N
XLogP1.89
TPSA100.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(1-hydroxypentan-3-yl)urea
CID 111506795
1-[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(3S)-4-methylpent-1-yn-3-yl]urea
CID 124849754
1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(1-hydroxypentan-3-yl)urea
CID 111455508
(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-(4-hydroxy-2-methylpentyl)urea
CID 111509178
(2S)-2-amino-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-4-methylsulfanylbutanamide
CID 119342858
3-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111509179
7-amino-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]heptanamide;hydrochloride
CID 119817299
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)pentan-2-one
CID 63346826
cis-(1S,2R)-2-[[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125119043
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

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(1-hydroxypentan-3-yl)urea?
The IUPAC name of 1-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(1-hydroxypentan-3-yl)urea (CID 111506824) is 1-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(1-hydroxypentan-3-yl)urea.
What is the SMILES notation for 1-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(1-hydroxypentan-3-yl)urea?
The canonical SMILES for 1-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(1-hydroxypentan-3-yl)urea is CCC(CCO)NC(=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-(1-hydroxypentan-3-yl)urea?
The InChIKey is FQYRRXXXEJKUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O3/c1-6-10(7-8-19)16-13(20)15-9(2)11-17-12(18-21-11)14(3,4)5/h9-10,19H,6-8H2,1-5H3,(H2,15,16,20).
What are the key properties of 1-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(1-hydroxypentan-3-yl)urea?
1-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(1-hydroxypentan-3-yl)urea has a molecular weight of 298.39 g/mol, XLogP of 1.89, 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-(1-hydroxypentan-3-yl)urea is sourced from PubChem (CID 111506824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).