1-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]urea

C16H25N5O3 — CID 95904993

IUPAC1-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]urea
SMILESCc1noc(C)c1[C@H](C)NC(=O)NCCCc1nc(C(C)C)no1
InChIInChI=1S/C16H25N5O3/c1-9(2)15-19-13(24-21-15)7-6-8-17-16(22)18-10(3)14-11(4)20-23-12(14)5/h9-10H,6-8H2,1-5H3,(H2,17,18,22)/t10-/m0/s1
InChIKeyFHJNHUKAQHYBFG-JTQLQIEISA-N
MW335.41 g/mol
LogP2.79
Rot. Bonds7

About 1-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]urea

1-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]urea (PubChem CID 95904993) has the molecular formula C16H25N5O3 and a molecular weight of 335.41 g/mol. Its IUPAC name is 1-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]urea.

Molecular Properties

Compound Name1-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]urea
PubChem CID95904993
Molecular FormulaC16H25N5O3
Molecular Weight335.41 g/mol
Exact Mass335.20
IUPAC Name1-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]urea
SMILESCc1noc(C)c1[C@H](C)NC(=O)NCCCc1nc(C(C)C)no1
InChIInChI=1S/C16H25N5O3/c1-9(2)15-19-13(24-21-15)7-6-8-17-16(22)18-10(3)14-11(4)20-23-12(14)5/h9-10H,6-8H2,1-5H3,(H2,17,18,22)/t10-/m0/s1
InChIKeyFHJNHUKAQHYBFG-JTQLQIEISA-N
XLogP2.79
TPSA106.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]urea with MolForge

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Related Compounds

1-(1-methoxypropan-2-yl)-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]urea
CID 60614468
2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoylamino]acetic acid
CID 79242440
1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methylurea
CID 115626660
N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]pentanamide
CID 60590938
1-[1-(4-methoxyphenyl)propyl]-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]urea
CID 60614436
1-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[3-(2-fluorophenoxy)propyl]urea
CID 95904909
N-(3-hydroxypropyl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 110893892
(E)-3-phenyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]prop-2-enamide
CID 49033078
1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(3-hydroxy-2,2,4-trimethylpentyl)urea
CID 109390007
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(propan-2-ylamino)propanamide
CID 79236273
1-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]urea
CID 129432106
4-methyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperidine-1-carboxamide
CID 52826047

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]urea?
The IUPAC name of 1-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]urea (CID 95904993) is 1-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]urea.
What is the SMILES notation for 1-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]urea?
The canonical SMILES for 1-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]urea is Cc1noc(C)c1[C@H](C)NC(=O)NCCCc1nc(C(C)C)no1.
What is the InChIKey of 1-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]urea?
The InChIKey is FHJNHUKAQHYBFG-JTQLQIEISA-N. The full InChI is InChI=1S/C16H25N5O3/c1-9(2)15-19-13(24-21-15)7-6-8-17-16(22)18-10(3)14-11(4)20-23-12(14)5/h9-10H,6-8H2,1-5H3,(H2,17,18,22)/t10-/m0/s1.
What are the key properties of 1-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]urea?
1-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]urea has a molecular weight of 335.41 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]urea is sourced from PubChem (CID 95904993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).