2-(1,3-benzoxazol-2-ylamino)-N-cyclohexyl-4-methylpyrimidine-5-carboxamide

C19H21N5O2 — CID 16584584

IUPAC2-(1,3-benzoxazol-2-ylamino)-N-cyclohexyl-4-methylpyrimidine-5-carboxamide
SMILESCc1nc(Nc2nc3ccccc3o2)ncc1C(=O)NC1CCCCC1
InChIInChI=1S/C19H21N5O2/c1-12-14(17(25)22-13-7-3-2-4-8-13)11-20-18(21-12)24-19-23-15-9-5-6-10-16(15)26-19/h5-6,9-11,13H,2-4,7-8H2,1H3,(H,22,25)(H,20,21,23,24)
InChIKeyQZIUFOMSLQITKI-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.73
Rot. Bonds4

About 2-(1,3-benzoxazol-2-ylamino)-N-cyclohexyl-4-methylpyrimidine-5-carboxamide

2-(1,3-benzoxazol-2-ylamino)-N-cyclohexyl-4-methylpyrimidine-5-carboxamide (PubChem CID 16584584) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-ylamino)-N-cyclohexyl-4-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-ylamino)-N-cyclohexyl-4-methylpyrimidine-5-carboxamide
PubChem CID16584584
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name2-(1,3-benzoxazol-2-ylamino)-N-cyclohexyl-4-methylpyrimidine-5-carboxamide
SMILESCc1nc(Nc2nc3ccccc3o2)ncc1C(=O)NC1CCCCC1
InChIInChI=1S/C19H21N5O2/c1-12-14(17(25)22-13-7-3-2-4-8-13)11-20-18(21-12)24-19-23-15-9-5-6-10-16(15)26-19/h5-6,9-11,13H,2-4,7-8H2,1H3,(H,22,25)(H,20,21,23,24)
InChIKeyQZIUFOMSLQITKI-UHFFFAOYSA-N
XLogP3.73
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-ylamino)-N-cyclohexyl-4-methylpyrimidine-5-carboxamide?
The IUPAC name of 2-(1,3-benzoxazol-2-ylamino)-N-cyclohexyl-4-methylpyrimidine-5-carboxamide (CID 16584584) is 2-(1,3-benzoxazol-2-ylamino)-N-cyclohexyl-4-methylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-(1,3-benzoxazol-2-ylamino)-N-cyclohexyl-4-methylpyrimidine-5-carboxamide?
The canonical SMILES for 2-(1,3-benzoxazol-2-ylamino)-N-cyclohexyl-4-methylpyrimidine-5-carboxamide is Cc1nc(Nc2nc3ccccc3o2)ncc1C(=O)NC1CCCCC1.
What is the InChIKey of 2-(1,3-benzoxazol-2-ylamino)-N-cyclohexyl-4-methylpyrimidine-5-carboxamide?
The InChIKey is QZIUFOMSLQITKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-12-14(17(25)22-13-7-3-2-4-8-13)11-20-18(21-12)24-19-23-15-9-5-6-10-16(15)26-19/h5-6,9-11,13H,2-4,7-8H2,1H3,(H,22,25)(H,20,21,23,24).
What are the key properties of 2-(1,3-benzoxazol-2-ylamino)-N-cyclohexyl-4-methylpyrimidine-5-carboxamide?
2-(1,3-benzoxazol-2-ylamino)-N-cyclohexyl-4-methylpyrimidine-5-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-ylamino)-N-cyclohexyl-4-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 16584584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).