1-(2-methyltetrazol-5-yl)-3-[(4-phenyloxan-4-yl)methyl]urea

C15H20N6O2 — CID 138026038

IUPAC1-(2-methyltetrazol-5-yl)-3-[(4-phenyloxan-4-yl)methyl]urea
SMILESCn1nnc(NC(=O)NCC2(c3ccccc3)CCOCC2)n1
InChIInChI=1S/C15H20N6O2/c1-21-19-13(18-20-21)17-14(22)16-11-15(7-9-23-10-8-15)12-5-3-2-4-6-12/h2-6H,7-11H2,1H3,(H2,16,17,19,22)
InChIKeyFPOZYYRBPAUEJN-UHFFFAOYSA-N
MW316.37 g/mol
LogP1.08
Rot. Bonds4

About 1-(2-methyltetrazol-5-yl)-3-[(4-phenyloxan-4-yl)methyl]urea

1-(2-methyltetrazol-5-yl)-3-[(4-phenyloxan-4-yl)methyl]urea (PubChem CID 138026038) has the molecular formula C15H20N6O2 and a molecular weight of 316.37 g/mol. Its IUPAC name is 1-(2-methyltetrazol-5-yl)-3-[(4-phenyloxan-4-yl)methyl]urea.

Molecular Properties

Compound Name1-(2-methyltetrazol-5-yl)-3-[(4-phenyloxan-4-yl)methyl]urea
PubChem CID138026038
Molecular FormulaC15H20N6O2
Molecular Weight316.37 g/mol
Exact Mass316.16
IUPAC Name1-(2-methyltetrazol-5-yl)-3-[(4-phenyloxan-4-yl)methyl]urea
SMILESCn1nnc(NC(=O)NCC2(c3ccccc3)CCOCC2)n1
InChIInChI=1S/C15H20N6O2/c1-21-19-13(18-20-21)17-14(22)16-11-15(7-9-23-10-8-15)12-5-3-2-4-6-12/h2-6H,7-11H2,1H3,(H2,16,17,19,22)
InChIKeyFPOZYYRBPAUEJN-UHFFFAOYSA-N
XLogP1.08
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-methyltetrazol-5-yl)-3-[(1-pyridin-2-ylcyclobutyl)methyl]urea
CID 138054517
4-phenyl-N-[(4-phenyloxan-4-yl)methyl]oxane-4-carboxamide
CID 1082209
2-oxo-N-[(4-phenyloxan-4-yl)methyl]imidazolidine-1-carboxamide
CID 71806728
1-(4-bromo-2-pyridinyl)-3-[(4-phenyloxan-4-yl)methyl]urea
CID 99800169
N'-[(4-phenyloxan-4-yl)methyl]-N-propyloxamide
CID 27451627
N-[(4-phenyloxan-4-yl)methyl]-2-pyrrolidin-1-ylpropanamide;hydrochloride
CID 44828372
(2S)-N-[(4-phenyloxan-4-yl)methyl]-2-piperidin-1-ylpropanamide
CID 755199
1-(2-morpholin-4-ylethyl)-N-[(4-phenyloxan-4-yl)methyl]triazole-4-carboxamide
CID 74229926
N-[(4-phenyloxan-4-yl)methyl]-2-phenylsulfanylacetamide
CID 75538689
1-cyclopentyl-3-[(4-phenyloxan-4-yl)methyl]urea
CID 38287346
1-(4-hydroxy-3-methylbutan-2-yl)-3-[(4-phenyloxan-4-yl)methyl]urea
CID 111454581
1-amino-N-[(4-phenyloxan-4-yl)methyl]cyclopentane-1-carboxamide
CID 119293535

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyltetrazol-5-yl)-3-[(4-phenyloxan-4-yl)methyl]urea?
The IUPAC name of 1-(2-methyltetrazol-5-yl)-3-[(4-phenyloxan-4-yl)methyl]urea (CID 138026038) is 1-(2-methyltetrazol-5-yl)-3-[(4-phenyloxan-4-yl)methyl]urea.
What is the SMILES notation for 1-(2-methyltetrazol-5-yl)-3-[(4-phenyloxan-4-yl)methyl]urea?
The canonical SMILES for 1-(2-methyltetrazol-5-yl)-3-[(4-phenyloxan-4-yl)methyl]urea is Cn1nnc(NC(=O)NCC2(c3ccccc3)CCOCC2)n1.
What is the InChIKey of 1-(2-methyltetrazol-5-yl)-3-[(4-phenyloxan-4-yl)methyl]urea?
The InChIKey is FPOZYYRBPAUEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2/c1-21-19-13(18-20-21)17-14(22)16-11-15(7-9-23-10-8-15)12-5-3-2-4-6-12/h2-6H,7-11H2,1H3,(H2,16,17,19,22).
What are the key properties of 1-(2-methyltetrazol-5-yl)-3-[(4-phenyloxan-4-yl)methyl]urea?
1-(2-methyltetrazol-5-yl)-3-[(4-phenyloxan-4-yl)methyl]urea has a molecular weight of 316.37 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyltetrazol-5-yl)-3-[(4-phenyloxan-4-yl)methyl]urea is sourced from PubChem (CID 138026038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).