N-[[1-(1-hydroxycyclobutyl)cyclopropyl]methyl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide

C16H22N2O3 — CID 136566883

IUPACN-[[1-(1-hydroxycyclobutyl)cyclopropyl]methyl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide
SMILESO=C(NCC1(C2(O)CCC2)CC1)c1onc2c1CCCC2
InChIInChI=1S/C16H22N2O3/c19-14(13-11-4-1-2-5-12(11)18-21-13)17-10-15(8-9-15)16(20)6-3-7-16/h20H,1-10H2,(H,17,19)
InChIKeyJLPMOPIALGXHAX-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.98
Rot. Bonds4

About N-[[1-(1-hydroxycyclobutyl)cyclopropyl]methyl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide

N-[[1-(1-hydroxycyclobutyl)cyclopropyl]methyl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide (PubChem CID 136566883) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-[[1-(1-hydroxycyclobutyl)cyclopropyl]methyl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(1-hydroxycyclobutyl)cyclopropyl]methyl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide
PubChem CID136566883
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-[[1-(1-hydroxycyclobutyl)cyclopropyl]methyl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide
SMILESO=C(NCC1(C2(O)CCC2)CC1)c1onc2c1CCCC2
InChIInChI=1S/C16H22N2O3/c19-14(13-11-4-1-2-5-12(11)18-21-13)17-10-15(8-9-15)16(20)6-3-7-16/h20H,1-10H2,(H,17,19)
InChIKeyJLPMOPIALGXHAX-UHFFFAOYSA-N
XLogP1.98
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[1-(1-hydroxycyclobutyl)cyclopropyl]methyl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-carbamoylfuran-2-yl)methyl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide
CID 138035110
N-[3-(hydroxymethyl)cyclobutyl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide
CID 136587081
5-[[1-(1-hydroxycyclobutyl)cyclopropyl]methylcarbamoyl]-2-methylbenzoic acid
CID 138051535
N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide
CID 122131376
N-[[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide
CID 167797599
N-[[1-(1-hydroxycyclobutyl)cyclopropyl]methyl]-5-methyl-1,2-benzothiazole-3-carboxamide
CID 136566882
[(4R)-4-[(dimethylamino)methyl]-4-hydroxyazepan-1-yl]-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)methanone
CID 126431559
phenyl(5,6,7,8-tetrahydro-4H-cyclohepta[c][1,2]oxazol-3-yl)methanone
CID 134984735
N-[[(2R)-5-fluoro-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide
CID 126434484
2-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)acetic acid
CID 83858738
2-chloro-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)acetamide
CID 139801659
N-[[1-(1-hydroxycyclobutyl)cyclobutyl]methyl]-2-(5-methoxy-1,2-benzoxazol-3-yl)acetamide
CID 138055490

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1-hydroxycyclobutyl)cyclopropyl]methyl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide?
The IUPAC name of N-[[1-(1-hydroxycyclobutyl)cyclopropyl]methyl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide (CID 136566883) is N-[[1-(1-hydroxycyclobutyl)cyclopropyl]methyl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide.
What is the SMILES notation for N-[[1-(1-hydroxycyclobutyl)cyclopropyl]methyl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide?
The canonical SMILES for N-[[1-(1-hydroxycyclobutyl)cyclopropyl]methyl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide is O=C(NCC1(C2(O)CCC2)CC1)c1onc2c1CCCC2.
What is the InChIKey of N-[[1-(1-hydroxycyclobutyl)cyclopropyl]methyl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide?
The InChIKey is JLPMOPIALGXHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c19-14(13-11-4-1-2-5-12(11)18-21-13)17-10-15(8-9-15)16(20)6-3-7-16/h20H,1-10H2,(H,17,19).
What are the key properties of N-[[1-(1-hydroxycyclobutyl)cyclopropyl]methyl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide?
N-[[1-(1-hydroxycyclobutyl)cyclopropyl]methyl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide has a molecular weight of 290.36 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1-hydroxycyclobutyl)cyclopropyl]methyl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide is sourced from PubChem (CID 136566883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).