N-[(2-ethylpyrazol-3-yl)methyl]-2-propan-2-yl-1,3-benzoxazol-5-amine

C16H20N4O — CID 115762013

IUPACN-[(2-ethylpyrazol-3-yl)methyl]-2-propan-2-yl-1,3-benzoxazol-5-amine
SMILESCCn1nccc1CNc1ccc2oc(C(C)C)nc2c1
InChIInChI=1S/C16H20N4O/c1-4-20-13(7-8-18-20)10-17-12-5-6-15-14(9-12)19-16(21-15)11(2)3/h5-9,11,17H,4,10H2,1-3H3
InChIKeyBOZRSCYMCQPXLC-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.78
Rot. Bonds5

About N-[(2-ethylpyrazol-3-yl)methyl]-2-propan-2-yl-1,3-benzoxazol-5-amine

N-[(2-ethylpyrazol-3-yl)methyl]-2-propan-2-yl-1,3-benzoxazol-5-amine (PubChem CID 115762013) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[(2-ethylpyrazol-3-yl)methyl]-2-propan-2-yl-1,3-benzoxazol-5-amine.

Molecular Properties

Compound NameN-[(2-ethylpyrazol-3-yl)methyl]-2-propan-2-yl-1,3-benzoxazol-5-amine
PubChem CID115762013
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-[(2-ethylpyrazol-3-yl)methyl]-2-propan-2-yl-1,3-benzoxazol-5-amine
SMILESCCn1nccc1CNc1ccc2oc(C(C)C)nc2c1
InChIInChI=1S/C16H20N4O/c1-4-20-13(7-8-18-20)10-17-12-5-6-15-14(9-12)19-16(21-15)11(2)3/h5-9,11,17H,4,10H2,1-3H3
InChIKeyBOZRSCYMCQPXLC-UHFFFAOYSA-N
XLogP3.78
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-ethylimidazol-2-yl)methyl]-2-propan-2-yl-1,3-benzoxazol-5-amine
CID 62350283
N-[(3-methylimidazol-4-yl)methyl]-2-propan-2-yl-1,3-benzoxazol-5-amine
CID 66118117
N-(3-methylbutyl)-2-propan-2-yl-1,3-benzoxazol-5-amine
CID 43745087
N-heptyl-2-propan-2-yl-1,3-benzoxazol-5-amine
CID 43745098
N-[(2-ethylpyrazol-3-yl)methyl]-4-fluoro-3-methylaniline
CID 115777063
4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]aniline
CID 115866130
N-(5-methylhexan-2-yl)-2-propan-2-yl-1,3-benzoxazol-5-amine
CID 43745091
3-[(2-ethylpyrazol-3-yl)methylamino]phenol
CID 114554894
N-[(2-ethylpyrazol-3-yl)methyl]-3-fluoroaniline
CID 19619281
N-[(2-ethylpyrazol-3-yl)methyl]-4-methyl-3-(trifluoromethyl)aniline
CID 115762717
N-[(2-ethylpyrazol-3-yl)methyl]-4-fluoro-3-methoxyaniline
CID 114838297
(2S,3S)-2-amino-3-methyl-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)pentanamide
CID 61179344

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-2-propan-2-yl-1,3-benzoxazol-5-amine?
The IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-2-propan-2-yl-1,3-benzoxazol-5-amine (CID 115762013) is N-[(2-ethylpyrazol-3-yl)methyl]-2-propan-2-yl-1,3-benzoxazol-5-amine.
What is the SMILES notation for N-[(2-ethylpyrazol-3-yl)methyl]-2-propan-2-yl-1,3-benzoxazol-5-amine?
The canonical SMILES for N-[(2-ethylpyrazol-3-yl)methyl]-2-propan-2-yl-1,3-benzoxazol-5-amine is CCn1nccc1CNc1ccc2oc(C(C)C)nc2c1.
What is the InChIKey of N-[(2-ethylpyrazol-3-yl)methyl]-2-propan-2-yl-1,3-benzoxazol-5-amine?
The InChIKey is BOZRSCYMCQPXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-4-20-13(7-8-18-20)10-17-12-5-6-15-14(9-12)19-16(21-15)11(2)3/h5-9,11,17H,4,10H2,1-3H3.
What are the key properties of N-[(2-ethylpyrazol-3-yl)methyl]-2-propan-2-yl-1,3-benzoxazol-5-amine?
N-[(2-ethylpyrazol-3-yl)methyl]-2-propan-2-yl-1,3-benzoxazol-5-amine has a molecular weight of 284.36 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylpyrazol-3-yl)methyl]-2-propan-2-yl-1,3-benzoxazol-5-amine is sourced from PubChem (CID 115762013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).