1-(1,2-oxazol-3-yl)-3-[4-[1-(propylamino)ethyl]phenyl]urea

C15H20N4O2 — CID 62902901

IUPAC1-(1,2-oxazol-3-yl)-3-[4-[1-(propylamino)ethyl]phenyl]urea
SMILESCCCNC(C)c1ccc(NC(=O)Nc2ccon2)cc1
InChIInChI=1S/C15H20N4O2/c1-3-9-16-11(2)12-4-6-13(7-5-12)17-15(20)18-14-8-10-21-19-14/h4-8,10-11,16H,3,9H2,1-2H3,(H2,17,18,19,20)
InChIKeyHURTZSGIGYMKFH-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.38
Rot. Bonds6

About 1-(1,2-oxazol-3-yl)-3-[4-[1-(propylamino)ethyl]phenyl]urea

1-(1,2-oxazol-3-yl)-3-[4-[1-(propylamino)ethyl]phenyl]urea (PubChem CID 62902901) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-(1,2-oxazol-3-yl)-3-[4-[1-(propylamino)ethyl]phenyl]urea.

Molecular Properties

Compound Name1-(1,2-oxazol-3-yl)-3-[4-[1-(propylamino)ethyl]phenyl]urea
PubChem CID62902901
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name1-(1,2-oxazol-3-yl)-3-[4-[1-(propylamino)ethyl]phenyl]urea
SMILESCCCNC(C)c1ccc(NC(=O)Nc2ccon2)cc1
InChIInChI=1S/C15H20N4O2/c1-3-9-16-11(2)12-4-6-13(7-5-12)17-15(20)18-14-8-10-21-19-14/h4-8,10-11,16H,3,9H2,1-2H3,(H2,17,18,19,20)
InChIKeyHURTZSGIGYMKFH-UHFFFAOYSA-N
XLogP3.38
TPSA79.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-propan-2-yl-3-[4-[1-(propylamino)ethyl]phenyl]urea
CID 43508325
1-tert-butyl-3-[4-[1-(propylamino)ethyl]phenyl]urea
CID 43508324
1-butan-2-yl-3-[4-[1-(propylamino)ethyl]phenyl]urea
CID 61341260
1-(4-fluorophenyl)-3-(1,2-oxazol-3-yl)urea
CID 6470703
methyl 4-(1,2-oxazol-3-ylcarbamoylamino)benzoate
CID 108811946
ethyl N-[4-[1-(propylamino)ethyl]phenyl]carbamate
CID 43508328
2,2-dimethyl-N-[4-[1-(propylamino)ethyl]phenyl]butanamide
CID 62678760
2-methylpropyl N-[4-[1-(propylamino)ethyl]phenyl]carbamate
CID 43508327
2-methyl-N-[4-[1-(propylamino)ethyl]phenyl]cyclopropane-1-carboxamide
CID 43507733
3-propoxy-N-[4-[1-(propylamino)ethyl]phenyl]propanamide
CID 62715274
N-[4-[1-(propylamino)ethyl]phenyl]pyridine-2-carboxamide
CID 43507728
1-(3-methylphenyl)-3-(1,2-oxazol-3-yl)urea
CID 108811855

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-oxazol-3-yl)-3-[4-[1-(propylamino)ethyl]phenyl]urea?
The IUPAC name of 1-(1,2-oxazol-3-yl)-3-[4-[1-(propylamino)ethyl]phenyl]urea (CID 62902901) is 1-(1,2-oxazol-3-yl)-3-[4-[1-(propylamino)ethyl]phenyl]urea.
What is the SMILES notation for 1-(1,2-oxazol-3-yl)-3-[4-[1-(propylamino)ethyl]phenyl]urea?
The canonical SMILES for 1-(1,2-oxazol-3-yl)-3-[4-[1-(propylamino)ethyl]phenyl]urea is CCCNC(C)c1ccc(NC(=O)Nc2ccon2)cc1.
What is the InChIKey of 1-(1,2-oxazol-3-yl)-3-[4-[1-(propylamino)ethyl]phenyl]urea?
The InChIKey is HURTZSGIGYMKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-3-9-16-11(2)12-4-6-13(7-5-12)17-15(20)18-14-8-10-21-19-14/h4-8,10-11,16H,3,9H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 1-(1,2-oxazol-3-yl)-3-[4-[1-(propylamino)ethyl]phenyl]urea?
1-(1,2-oxazol-3-yl)-3-[4-[1-(propylamino)ethyl]phenyl]urea has a molecular weight of 288.35 g/mol, XLogP of 3.38, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-oxazol-3-yl)-3-[4-[1-(propylamino)ethyl]phenyl]urea is sourced from PubChem (CID 62902901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).