[5-(4-morpholin-4-ylphenyl)-4,5-dihydro-1,2-oxazol-3-yl]methanol

C14H18N2O3 — CID 25266081

IUPAC[5-(4-morpholin-4-ylphenyl)-4,5-dihydro-1,2-oxazol-3-yl]methanol
SMILESOCC1=NOC(c2ccc(N3CCOCC3)cc2)C1
InChIInChI=1S/C14H18N2O3/c17-10-12-9-14(19-15-12)11-1-3-13(4-2-11)16-5-7-18-8-6-16/h1-4,14,17H,5-10H2
InChIKeyNOTXCDRYNOSBOQ-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.33
Rot. Bonds3

About [5-(4-morpholin-4-ylphenyl)-4,5-dihydro-1,2-oxazol-3-yl]methanol

[5-(4-morpholin-4-ylphenyl)-4,5-dihydro-1,2-oxazol-3-yl]methanol (PubChem CID 25266081) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is [5-(4-morpholin-4-ylphenyl)-4,5-dihydro-1,2-oxazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(4-morpholin-4-ylphenyl)-4,5-dihydro-1,2-oxazol-3-yl]methanol
PubChem CID25266081
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name[5-(4-morpholin-4-ylphenyl)-4,5-dihydro-1,2-oxazol-3-yl]methanol
SMILESOCC1=NOC(c2ccc(N3CCOCC3)cc2)C1
InChIInChI=1S/C14H18N2O3/c17-10-12-9-14(19-15-12)11-1-3-13(4-2-11)16-5-7-18-8-6-16/h1-4,14,17H,5-10H2
InChIKeyNOTXCDRYNOSBOQ-UHFFFAOYSA-N
XLogP1.33
TPSA54.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

(4-morpholin-4-ylphenyl)methanol
CID 2776456
2-(4-morpholin-4-ylphenyl)prop-2-en-1-ol
CID 118140853
N-[(4-methoxyphenyl)methyl]-2-methyl-6-[5-(4-morpholin-4-ylphenyl)-4,5-dihydro-1,2-oxazol-3-yl]pyrimidine-4-carboxamide
CID 71466413
4-(4-pyrrolidin-1-ylphenyl)morpholine
CID 67305085
4-[4-[(1S,2S)-2-methylcyclopropyl]phenyl]morpholine
CID 166443931
4-[4-[2-(1,3-dioxolan-2-ylmethyl)cyclopropyl]phenyl]morpholine
CID 138973080
13-[4-[4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)phenyl]phenyl]-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 102533214
[5-[(4-morpholin-4-ylanilino)methyl]furan-2-yl]methanol
CID 64578214
[5-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]methanol
CID 22184767
2-chloro-1-(4-morpholin-4-ylphenyl)ethanone
CID 130136658
1-(4-morpholin-4-ylphenyl)piperidin-4-amine
CID 63180022
4-(4-ethylphenyl)morpholine
CID 20576442

Frequently Asked Questions

What is the IUPAC name of [5-(4-morpholin-4-ylphenyl)-4,5-dihydro-1,2-oxazol-3-yl]methanol?
The IUPAC name of [5-(4-morpholin-4-ylphenyl)-4,5-dihydro-1,2-oxazol-3-yl]methanol (CID 25266081) is [5-(4-morpholin-4-ylphenyl)-4,5-dihydro-1,2-oxazol-3-yl]methanol.
What is the SMILES notation for [5-(4-morpholin-4-ylphenyl)-4,5-dihydro-1,2-oxazol-3-yl]methanol?
The canonical SMILES for [5-(4-morpholin-4-ylphenyl)-4,5-dihydro-1,2-oxazol-3-yl]methanol is OCC1=NOC(c2ccc(N3CCOCC3)cc2)C1.
What is the InChIKey of [5-(4-morpholin-4-ylphenyl)-4,5-dihydro-1,2-oxazol-3-yl]methanol?
The InChIKey is NOTXCDRYNOSBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c17-10-12-9-14(19-15-12)11-1-3-13(4-2-11)16-5-7-18-8-6-16/h1-4,14,17H,5-10H2.
What are the key properties of [5-(4-morpholin-4-ylphenyl)-4,5-dihydro-1,2-oxazol-3-yl]methanol?
[5-(4-morpholin-4-ylphenyl)-4,5-dihydro-1,2-oxazol-3-yl]methanol has a molecular weight of 262.31 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-morpholin-4-ylphenyl)-4,5-dihydro-1,2-oxazol-3-yl]methanol is sourced from PubChem (CID 25266081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).