3-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-ylmethyl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea

C19H23N3O2 — CID 102553470

IUPAC3-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-ylmethyl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
SMILESCc1cc(CN(C)C(=O)NCC2C3CCc4ccccc4C32)no1
InChIInChI=1S/C19H23N3O2/c1-12-9-14(21-24-12)11-22(2)19(23)20-10-17-16-8-7-13-5-3-4-6-15(13)18(16)17/h3-6,9,16-18H,7-8,10-11H2,1-2H3,(H,20,23)
InChIKeyNSSHTWSBVBPYOM-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.10
Rot. Bonds4

About 3-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-ylmethyl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea

3-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-ylmethyl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea (PubChem CID 102553470) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 3-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-ylmethyl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea.

Molecular Properties

Compound Name3-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-ylmethyl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
PubChem CID102553470
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name3-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-ylmethyl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
SMILESCc1cc(CN(C)C(=O)NCC2C3CCc4ccccc4C32)no1
InChIInChI=1S/C19H23N3O2/c1-12-9-14(21-24-12)11-22(2)19(23)20-10-17-16-8-7-13-5-3-4-6-15(13)18(16)17/h3-6,9,16-18H,7-8,10-11H2,1-2H3,(H,20,23)
InChIKeyNSSHTWSBVBPYOM-UHFFFAOYSA-N
XLogP3.10
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-ylmethyl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea?
The IUPAC name of 3-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-ylmethyl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea (CID 102553470) is 3-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-ylmethyl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea.
What is the SMILES notation for 3-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-ylmethyl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea?
The canonical SMILES for 3-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-ylmethyl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea is Cc1cc(CN(C)C(=O)NCC2C3CCc4ccccc4C32)no1.
What is the InChIKey of 3-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-ylmethyl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea?
The InChIKey is NSSHTWSBVBPYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-12-9-14(21-24-12)11-22(2)19(23)20-10-17-16-8-7-13-5-3-4-6-15(13)18(16)17/h3-6,9,16-18H,7-8,10-11H2,1-2H3,(H,20,23).
What are the key properties of 3-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-ylmethyl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea?
3-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-ylmethyl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea has a molecular weight of 325.41 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-ylmethyl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea is sourced from PubChem (CID 102553470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).