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

C15H24N4O2 — CID 124849754

IUPAC1-[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(3S)-4-methylpent-1-yn-3-yl]urea
SMILESC#C[C@@H](NC(=O)N[C@@H](C)c1nc(C(C)(C)C)no1)C(C)C
InChIInChI=1S/C15H24N4O2/c1-8-11(9(2)3)17-14(20)16-10(4)12-18-13(19-21-12)15(5,6)7/h1,9-11H,2-7H3,(H2,16,17,20)/t10-,11+/m0/s1
InChIKeyPIIQNBFUJCRAKN-WDEREUQCSA-N
MW292.38 g/mol
LogP2.39
Rot. Bonds4

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

1-[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(3S)-4-methylpent-1-yn-3-yl]urea (PubChem CID 124849754) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(3S)-4-methylpent-1-yn-3-yl]urea.

Molecular Properties

Compound Name1-[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(3S)-4-methylpent-1-yn-3-yl]urea
PubChem CID124849754
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name1-[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(3S)-4-methylpent-1-yn-3-yl]urea
SMILESC#C[C@@H](NC(=O)N[C@@H](C)c1nc(C(C)(C)C)no1)C(C)C
InChIInChI=1S/C15H24N4O2/c1-8-11(9(2)3)17-14(20)16-10(4)12-18-13(19-21-12)15(5,6)7/h1,9-11H,2-7H3,(H2,16,17,20)/t10-,11+/m0/s1
InChIKeyPIIQNBFUJCRAKN-WDEREUQCSA-N
XLogP2.39
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(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
1-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(4-hydroxy-2-methylpentyl)urea
CID 111509178
1-[(1S)-1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-[(3S)-4-methylpent-1-yn-3-yl]urea
CID 124886787
1-[(1S)-1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-[(3R)-4-methylpent-1-yn-3-yl]urea
CID 124886793
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
3-amino-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]cyclopentane-1-carboxamide
CID 119817308
cis-(1S,2R)-2-[[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125119043
cis-(1R,2S)-2-[[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125119041
(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
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-[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(3S)-4-methylpent-1-yn-3-yl]urea?
The IUPAC name of 1-[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(3S)-4-methylpent-1-yn-3-yl]urea (CID 124849754) is 1-[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(3S)-4-methylpent-1-yn-3-yl]urea.
What is the SMILES notation for 1-[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(3S)-4-methylpent-1-yn-3-yl]urea?
The canonical SMILES for 1-[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(3S)-4-methylpent-1-yn-3-yl]urea is C#C[C@@H](NC(=O)N[C@@H](C)c1nc(C(C)(C)C)no1)C(C)C.
What is the InChIKey of 1-[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(3S)-4-methylpent-1-yn-3-yl]urea?
The InChIKey is PIIQNBFUJCRAKN-WDEREUQCSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-8-11(9(2)3)17-14(20)16-10(4)12-18-13(19-21-12)15(5,6)7/h1,9-11H,2-7H3,(H2,16,17,20)/t10-,11+/m0/s1.
What are the key properties of 1-[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(3S)-4-methylpent-1-yn-3-yl]urea?
1-[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(3S)-4-methylpent-1-yn-3-yl]urea has a molecular weight of 292.38 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(3S)-4-methylpent-1-yn-3-yl]urea is sourced from PubChem (CID 124849754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).