1-cyclohexyl-3-[[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]urea

C14H22N4O2 — CID 75367241

IUPAC1-cyclohexyl-3-[[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]urea
SMILESO=C(NC[C@H]1Cn2ccnc2CO1)NC1CCCCC1
InChIInChI=1S/C14H22N4O2/c19-14(17-11-4-2-1-3-5-11)16-8-12-9-18-7-6-15-13(18)10-20-12/h6-7,11-12H,1-5,8-10H2,(H2,16,17,19)/t12-/m0/s1
InChIKeySJWYHFYQTWYUAD-LBPRGKRZSA-N
MW278.36 g/mol
LogP1.41
Rot. Bonds3

About 1-cyclohexyl-3-[[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]urea

1-cyclohexyl-3-[[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]urea (PubChem CID 75367241) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-cyclohexyl-3-[[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]urea
PubChem CID75367241
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name1-cyclohexyl-3-[[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]urea
SMILESO=C(NC[C@H]1Cn2ccnc2CO1)NC1CCCCC1
InChIInChI=1S/C14H22N4O2/c19-14(17-11-4-2-1-3-5-11)16-8-12-9-18-7-6-15-13(18)10-20-12/h6-7,11-12H,1-5,8-10H2,(H2,16,17,19)/t12-/m0/s1
InChIKeySJWYHFYQTWYUAD-LBPRGKRZSA-N
XLogP1.41
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]urea?
The IUPAC name of 1-cyclohexyl-3-[[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]urea (CID 75367241) is 1-cyclohexyl-3-[[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]urea is O=C(NC[C@H]1Cn2ccnc2CO1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]urea?
The InChIKey is SJWYHFYQTWYUAD-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H22N4O2/c19-14(17-11-4-2-1-3-5-11)16-8-12-9-18-7-6-15-13(18)10-20-12/h6-7,11-12H,1-5,8-10H2,(H2,16,17,19)/t12-/m0/s1.
What are the key properties of 1-cyclohexyl-3-[[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]urea?
1-cyclohexyl-3-[[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]urea has a molecular weight of 278.36 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]urea is sourced from PubChem (CID 75367241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).