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

C14H24N4O3 — CID 95260702

IUPAC1-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea
SMILESCC(C)c1noc(CCNC(=O)N[C@@H](C)[C@H]2CCCO2)n1
InChIInChI=1S/C14H24N4O3/c1-9(2)13-17-12(21-18-13)6-7-15-14(19)16-10(3)11-5-4-8-20-11/h9-11H,4-8H2,1-3H3,(H2,15,16,19)/t10-,11+/m0/s1
InChIKeyVERINXRRBPQCCH-WDEREUQCSA-N
MW296.37 g/mol
LogP1.60
Rot. Bonds6

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

1-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea (PubChem CID 95260702) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea.

Molecular Properties

Compound Name1-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea
PubChem CID95260702
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC Name1-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea
SMILESCC(C)c1noc(CCNC(=O)N[C@@H](C)[C@H]2CCCO2)n1
InChIInChI=1S/C14H24N4O3/c1-9(2)13-17-12(21-18-13)6-7-15-14(19)16-10(3)11-5-4-8-20-11/h9-11H,4-8H2,1-3H3,(H2,15,16,19)/t10-,11+/m0/s1
InChIKeyVERINXRRBPQCCH-WDEREUQCSA-N
XLogP1.60
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(oxolan-2-yl)ethyl]-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 56785680
N-[1-(oxolan-2-yl)ethyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 47035759
2-(oxolan-2-ylmethyl)-1-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]guanidine
CID 111111936
1-[2-(5-chlorothiophen-2-yl)ethyl]-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea
CID 94031387
1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 111722412
1-[(1-hydroxycyclobutyl)methyl]-3-[1-(oxolan-2-yl)ethyl]urea
CID 111438268
2-cyclohexyl-N-[2-[[(1R)-1-[(2R)-oxolan-2-yl]ethyl]carbamoylamino]ethyl]acetamide
CID 95313447
1-[2-[cyclopentyl(methyl)amino]ethyl]-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]urea
CID 95762567
N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 35251222
N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 35251228
1-[(2R)-2-methylsulfanylpropyl]-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea
CID 97087333
1-(1-methoxypropan-2-yl)-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]urea
CID 60614468

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea?
The IUPAC name of 1-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea (CID 95260702) is 1-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea.
What is the SMILES notation for 1-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea?
The canonical SMILES for 1-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea is CC(C)c1noc(CCNC(=O)N[C@@H](C)[C@H]2CCCO2)n1.
What is the InChIKey of 1-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea?
The InChIKey is VERINXRRBPQCCH-WDEREUQCSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-9(2)13-17-12(21-18-13)6-7-15-14(19)16-10(3)11-5-4-8-20-11/h9-11H,4-8H2,1-3H3,(H2,15,16,19)/t10-,11+/m0/s1.
What are the key properties of 1-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea?
1-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea has a molecular weight of 296.37 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea is sourced from PubChem (CID 95260702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).