1-(2,3-dihydro-1H-inden-1-yl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(3-hydroxypropyl)urea

C19H25N3O3 — CID 71922591

IUPAC1-(2,3-dihydro-1H-inden-1-yl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(3-hydroxypropyl)urea
SMILESCc1nc(CNC(=O)N(CCCO)C2CCc3ccccc32)oc1C
InChIInChI=1S/C19H25N3O3/c1-13-14(2)25-18(21-13)12-20-19(24)22(10-5-11-23)17-9-8-15-6-3-4-7-16(15)17/h3-4,6-7,17,23H,5,8-12H2,1-2H3,(H,20,24)
InChIKeyNMNPYZJAHQUZLU-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.87
Rot. Bonds6

About 1-(2,3-dihydro-1H-inden-1-yl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(3-hydroxypropyl)urea

1-(2,3-dihydro-1H-inden-1-yl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(3-hydroxypropyl)urea (PubChem CID 71922591) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-1-yl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(3-hydroxypropyl)urea.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-1-yl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(3-hydroxypropyl)urea
PubChem CID71922591
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name1-(2,3-dihydro-1H-inden-1-yl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(3-hydroxypropyl)urea
SMILESCc1nc(CNC(=O)N(CCCO)C2CCc3ccccc32)oc1C
InChIInChI=1S/C19H25N3O3/c1-13-14(2)25-18(21-13)12-20-19(24)22(10-5-11-23)17-9-8-15-6-3-4-7-16(15)17/h3-4,6-7,17,23H,5,8-12H2,1-2H3,(H,20,24)
InChIKeyNMNPYZJAHQUZLU-UHFFFAOYSA-N
XLogP2.87
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-1-yl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(3-hydroxypropyl)urea?
The IUPAC name of 1-(2,3-dihydro-1H-inden-1-yl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(3-hydroxypropyl)urea (CID 71922591) is 1-(2,3-dihydro-1H-inden-1-yl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(3-hydroxypropyl)urea.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-1-yl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(3-hydroxypropyl)urea?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-1-yl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(3-hydroxypropyl)urea is Cc1nc(CNC(=O)N(CCCO)C2CCc3ccccc32)oc1C.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-1-yl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(3-hydroxypropyl)urea?
The InChIKey is NMNPYZJAHQUZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-13-14(2)25-18(21-13)12-20-19(24)22(10-5-11-23)17-9-8-15-6-3-4-7-16(15)17/h3-4,6-7,17,23H,5,8-12H2,1-2H3,(H,20,24).
What are the key properties of 1-(2,3-dihydro-1H-inden-1-yl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(3-hydroxypropyl)urea?
1-(2,3-dihydro-1H-inden-1-yl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(3-hydroxypropyl)urea has a molecular weight of 343.43 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-1-yl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(3-hydroxypropyl)urea is sourced from PubChem (CID 71922591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).