(4S)-2-[1-(4-butyl-4,5-dihydro-1,3-oxazol-2-yl)cyclopropyl]-4-methyl-4,5-dihydro-1,3-oxazole

C14H22N2O2 — CID 167668379

IUPAC(4S)-2-[1-(4-butyl-4,5-dihydro-1,3-oxazol-2-yl)cyclopropyl]-4-methyl-4,5-dihydro-1,3-oxazole
SMILESCCCCC1COC(C2(C3=N[C@@H](C)CO3)CC2)=N1
InChIInChI=1S/C14H22N2O2/c1-3-4-5-11-9-18-13(16-11)14(6-7-14)12-15-10(2)8-17-12/h10-11H,3-9H2,1-2H3/t10-,11?/m0/s1
InChIKeySYVNQBXXTOAWBP-VUWPPUDQSA-N
MW250.34 g/mol
LogP2.57
Rot. Bonds5

About (4S)-2-[1-(4-butyl-4,5-dihydro-1,3-oxazol-2-yl)cyclopropyl]-4-methyl-4,5-dihydro-1,3-oxazole

(4S)-2-[1-(4-butyl-4,5-dihydro-1,3-oxazol-2-yl)cyclopropyl]-4-methyl-4,5-dihydro-1,3-oxazole (PubChem CID 167668379) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is (4S)-2-[1-(4-butyl-4,5-dihydro-1,3-oxazol-2-yl)cyclopropyl]-4-methyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-2-[1-(4-butyl-4,5-dihydro-1,3-oxazol-2-yl)cyclopropyl]-4-methyl-4,5-dihydro-1,3-oxazole
PubChem CID167668379
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name(4S)-2-[1-(4-butyl-4,5-dihydro-1,3-oxazol-2-yl)cyclopropyl]-4-methyl-4,5-dihydro-1,3-oxazole
SMILESCCCCC1COC(C2(C3=N[C@@H](C)CO3)CC2)=N1
InChIInChI=1S/C14H22N2O2/c1-3-4-5-11-9-18-13(16-11)14(6-7-14)12-15-10(2)8-17-12/h10-11H,3-9H2,1-2H3/t10-,11?/m0/s1
InChIKeySYVNQBXXTOAWBP-VUWPPUDQSA-N
XLogP2.57
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4S)-2-[1-(4-butyl-4,5-dihydro-1,3-oxazol-2-yl)cyclopropyl]-4-methyl-4,5-dihydro-1,3-oxazole with MolForge

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Related Compounds

4-butyl-2-[(4-butyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-4,5-dihydro-1,3-oxazole
CID 139566761
(4R)-4-butyl-N,N-dimethyl-4,5-dihydro-1,3-oxazol-2-amine
CID 15939238
2-benzyl-4-butyl-4,5-dihydro-1,3-oxazole
CID 159605678
2-heptadecyl-4-methyl-4,5-dihydro-1,3-oxazole;4-methyl-2-pentadecyl-4,5-dihydro-1,3-oxazole
CID 70405269
2-methyl-4-propyl-4,5-dihydro-1,3-oxazole
CID 59112144
4-methyl-2-(2-methyldecan-2-yl)-4,5-dihydro-1,3-oxazole
CID 19825995
2-[1-(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)ethyl]-4-methyl-4,5-dihydro-1,3-oxazole
CID 121442660
2-butyloxirane;trimethylsilane
CID 174652516
1-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)-N-[(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]methanamine
CID 22894708
(3S)-3-butyloxetan-2-one
CID 11491937
4-ethyl-2-heptyl-4,5-dihydro-1,3-oxazole
CID 19844013
4-tert-butyl-2-[1-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)cyclohexyl]-4,5-dihydro-1,3-oxazole
CID 85266336

Frequently Asked Questions

What is the IUPAC name of (4S)-2-[1-(4-butyl-4,5-dihydro-1,3-oxazol-2-yl)cyclopropyl]-4-methyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-2-[1-(4-butyl-4,5-dihydro-1,3-oxazol-2-yl)cyclopropyl]-4-methyl-4,5-dihydro-1,3-oxazole (CID 167668379) is (4S)-2-[1-(4-butyl-4,5-dihydro-1,3-oxazol-2-yl)cyclopropyl]-4-methyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-2-[1-(4-butyl-4,5-dihydro-1,3-oxazol-2-yl)cyclopropyl]-4-methyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-2-[1-(4-butyl-4,5-dihydro-1,3-oxazol-2-yl)cyclopropyl]-4-methyl-4,5-dihydro-1,3-oxazole is CCCCC1COC(C2(C3=N[C@@H](C)CO3)CC2)=N1.
What is the InChIKey of (4S)-2-[1-(4-butyl-4,5-dihydro-1,3-oxazol-2-yl)cyclopropyl]-4-methyl-4,5-dihydro-1,3-oxazole?
The InChIKey is SYVNQBXXTOAWBP-VUWPPUDQSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-4-5-11-9-18-13(16-11)14(6-7-14)12-15-10(2)8-17-12/h10-11H,3-9H2,1-2H3/t10-,11?/m0/s1.
What are the key properties of (4S)-2-[1-(4-butyl-4,5-dihydro-1,3-oxazol-2-yl)cyclopropyl]-4-methyl-4,5-dihydro-1,3-oxazole?
(4S)-2-[1-(4-butyl-4,5-dihydro-1,3-oxazol-2-yl)cyclopropyl]-4-methyl-4,5-dihydro-1,3-oxazole has a molecular weight of 250.34 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-[1-(4-butyl-4,5-dihydro-1,3-oxazol-2-yl)cyclopropyl]-4-methyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 167668379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).