4-[cyclopropyl-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl]amino]butan-1-ol

C16H22N2O3 — CID 111457033

IUPAC4-[cyclopropyl-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl]amino]butan-1-ol
SMILESCc1oc(-c2ccco2)nc1CN(CCCCO)C1CC1
InChIInChI=1S/C16H22N2O3/c1-12-14(17-16(21-12)15-5-4-10-20-15)11-18(13-6-7-13)8-2-3-9-19/h4-5,10,13,19H,2-3,6-9,11H2,1H3
InChIKeyFBUBVKSXHDFPDN-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.98
Rot. Bonds8

About 4-[cyclopropyl-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl]amino]butan-1-ol

4-[cyclopropyl-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl]amino]butan-1-ol (PubChem CID 111457033) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 4-[cyclopropyl-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl]amino]butan-1-ol.

Molecular Properties

Compound Name4-[cyclopropyl-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl]amino]butan-1-ol
PubChem CID111457033
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name4-[cyclopropyl-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl]amino]butan-1-ol
SMILESCc1oc(-c2ccco2)nc1CN(CCCCO)C1CC1
InChIInChI=1S/C16H22N2O3/c1-12-14(17-16(21-12)15-5-4-10-20-15)11-18(13-6-7-13)8-2-3-9-19/h4-5,10,13,19H,2-3,6-9,11H2,1H3
InChIKeyFBUBVKSXHDFPDN-UHFFFAOYSA-N
XLogP2.98
TPSA62.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[cyclopropyl-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl]amino]butan-1-ol with MolForge

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Related Compounds

2-[[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl-methylamino]methyl]cyclopentan-1-ol
CID 109398034
4-[cyclopropyl-[(2-methylquinolin-4-yl)methyl]amino]butan-1-ol
CID 111457060
3-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]propanoic acid
CID 82127717
2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 109388347
[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]methanol
CID 68886081
2-[cyclobutyl-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]amino]ethanol
CID 102676857
2-[cyclopentyl-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]amino]ethanol
CID 62014677
2-[cyclopropyl-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]acetic acid
CID 60834843
4-[cyclopropyl(pyridin-3-ylmethyl)amino]butan-1-ol
CID 56795318
(2R)-2-[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]propanoic acid
CID 119244019
2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-[[(1S,2S)-2-phenylcyclopropyl]methyl]acetamide
CID 97066559
2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide
CID 120553081

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl]amino]butan-1-ol?
The IUPAC name of 4-[cyclopropyl-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl]amino]butan-1-ol (CID 111457033) is 4-[cyclopropyl-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl]amino]butan-1-ol.
What is the SMILES notation for 4-[cyclopropyl-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl]amino]butan-1-ol?
The canonical SMILES for 4-[cyclopropyl-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl]amino]butan-1-ol is Cc1oc(-c2ccco2)nc1CN(CCCCO)C1CC1.
What is the InChIKey of 4-[cyclopropyl-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl]amino]butan-1-ol?
The InChIKey is FBUBVKSXHDFPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-12-14(17-16(21-12)15-5-4-10-20-15)11-18(13-6-7-13)8-2-3-9-19/h4-5,10,13,19H,2-3,6-9,11H2,1H3.
What are the key properties of 4-[cyclopropyl-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl]amino]butan-1-ol?
4-[cyclopropyl-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl]amino]butan-1-ol has a molecular weight of 290.36 g/mol, XLogP of 2.98, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl]amino]butan-1-ol is sourced from PubChem (CID 111457033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).